(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide

C17H25N3O2 — CID 94615950

IUPAC(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-12(2)14(20-16(18)22)15(21)19-11-17(9-10-17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14+/m0/s1
InChIKeyUUWLTRVSJCJWQT-GXTWGEPZSA-N
MW303.41 g/mol
LogP1.92
Rot. Bonds7

About (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide

(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide (PubChem CID 94615950) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
PubChem CID94615950
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O2/c1-3-12(2)14(20-16(18)22)15(21)19-11-17(9-10-17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14+/m0/s1
InChIKeyUUWLTRVSJCJWQT-GXTWGEPZSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 95329415
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
benzyl 2-[[(2S,3S)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 7613315
benzyl 2-[[(2S,3R)-2-(carbamoylamino)-3-methylpentanoyl]amino]acetate
CID 51648070
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 18159420
2-(carbamoylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65120019
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide (CID 94615950) is (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide is CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The InChIKey is UUWLTRVSJCJWQT-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-12(2)14(20-16(18)22)15(21)19-11-17(9-10-17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,19,21)(H3,18,20,22)/t12-,14+/m0/s1.
What are the key properties of (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide has a molecular weight of 303.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 94615950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).