[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid

C20H36N2O5 — CID 70045269

IUPAC[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
SMILESCCCC[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C20H36N2O5/c1-2-3-9-15(22-20(26)27)19(25)21-16(12-13-7-5-4-6-8-13)18(24)17(23)14-10-11-14/h13-18,22-24H,2-12H2,1H3,(H,21,25)(H,26,27)/t15-,16-,17-,18+/m0/s1
InChIKeyGXJZHTGBBNFJCD-XLAORIBOSA-N
MW384.52 g/mol
LogP2.40
Rot. Bonds11

About [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid

[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid (PubChem CID 70045269) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
PubChem CID70045269
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Name[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
SMILESCCCC[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C20H36N2O5/c1-2-3-9-15(22-20(26)27)19(25)21-16(12-13-7-5-4-6-8-13)18(24)17(23)14-10-11-14/h13-18,22-24H,2-12H2,1H3,(H,21,25)(H,26,27)/t15-,16-,17-,18+/m0/s1
InChIKeyGXJZHTGBBNFJCD-XLAORIBOSA-N
XLogP2.40
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide
CID 139609418
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
4-cyclohexyl-2-hydroxy-3-[2-[[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]hexanoylamino]butanoic acid
CID 19906577
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2S)-N-[(2S,3R,4S)-1-cyclohexyl-5-[ethyl(2-hydroxyethyl)amino]-3,4-dihydroxypentan-2-yl]-2-[[(2S)-2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamide
CID 10009856
(2R,3S)-4-cyclohexyl-2-hydroxy-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]butanoic acid
CID 67873914
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
2-oxoheptan-3-ylcarbamic acid
CID 87957715
[1-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]carbamic acid
CID 91554374
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid (CID 70045269) is [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid is CCCC[C@H](NC(=O)O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1.
What is the InChIKey of [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is GXJZHTGBBNFJCD-XLAORIBOSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-2-3-9-15(22-20(26)27)19(25)21-16(12-13-7-5-4-6-8-13)18(24)17(23)14-10-11-14/h13-18,22-24H,2-12H2,1H3,(H,21,25)(H,26,27)/t15-,16-,17-,18+/m0/s1.
What are the key properties of [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid?
[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 384.52 g/mol, XLogP of 2.40, 11 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 70045269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).