(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide

C19H32N4O3 — CID 67798627

IUPAC(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
SMILESN[C@@H](Cc1ncc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)C1CC1
InChIInChI=1S/C19H32N4O3/c20-14(11-16-21-8-9-22-16)19(26)23-15(10-12-4-2-1-3-5-12)18(25)17(24)13-6-7-13/h8-9,12-15,17-18,24-25H,1-7,10-11,20H2,(H,21,22)(H,23,26)/t14-,15-,17?,18+/m0/s1
InChIKeyJBUWXEYIIHHWHH-GQVHFNONSA-N
MW364.49 g/mol
LogP0.87
Rot. Bonds9

About (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide

(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide (PubChem CID 67798627) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
PubChem CID67798627
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
SMILESN[C@@H](Cc1ncc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)C1CC1
InChIInChI=1S/C19H32N4O3/c20-14(11-16-21-8-9-22-16)19(26)23-15(10-12-4-2-1-3-5-12)18(25)17(24)13-6-7-13/h8-9,12-15,17-18,24-25H,1-7,10-11,20H2,(H,21,22)(H,23,26)/t14-,15-,17?,18+/m0/s1
InChIKeyJBUWXEYIIHHWHH-GQVHFNONSA-N
XLogP0.87
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395358
N-[(2S)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395359
(2S)-2-amino-N-[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 53674895
(S)-alpha-amino-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]imidazole-4propionamide
CID 53674896
N'-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-(cyclopropylmethyl)-N-(1H-imidazol-2-ylmethyl)butanediamide
CID 53720062
N'-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-(1H-imidazol-5-ylmethyl)-N-methylbutanediamide
CID 53807529
(S)-alpha-amino-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-3-(imidazol-1-yl)propionamide
CID 53847799
2-amino-N-[(2S,3S,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 53947129
(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 53947130
(2R)-N-[(2S)-1-[[(2S,3R,4S)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-5-yn-2-yl]-2-ethyl-N'-[2-(1H-imidazol-2-yl)ethyl]-N'-methylbutanediamide
CID 59079824
(2R)-N-[(2S)-1-[[(3S,4R,5S)-4,5-dihydroxy-7-methyloctan-3-yl]amino]-1-oxohex-5-yn-2-yl]-2-ethyl-N'-[2-(1H-imidazol-2-yl)ethyl]-N'-methylbutanediamide
CID 60087995
2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 67807569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide (CID 67798627) is (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide is N[C@@H](Cc1ncc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(O)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The InChIKey is JBUWXEYIIHHWHH-GQVHFNONSA-N. The full InChI is InChI=1S/C19H32N4O3/c20-14(11-16-21-8-9-22-16)19(26)23-15(10-12-4-2-1-3-5-12)18(25)17(24)13-6-7-13/h8-9,12-15,17-18,24-25H,1-7,10-11,20H2,(H,21,22)(H,23,26)/t14-,15-,17?,18+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide has a molecular weight of 364.49 g/mol, XLogP of 0.87, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 67798627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).