(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide

C14H28N4O2 — CID 119591011

IUPAC(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H28N4O2/c1-2-6-11(18-14(16)20)13(19)17-12(9-15)10-7-4-3-5-8-10/h10-12H,2-9,15H2,1H3,(H,17,19)(H3,16,18,20)/t11-,12?/m1/s1
InChIKeyYSRVJVKMIVHIAV-JHJMLUEUSA-N
MW284.40 g/mol
LogP0.85
Rot. Bonds7

About (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide

(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide (PubChem CID 119591011) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide
PubChem CID119591011
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide
SMILESCCC[C@@H](NC(N)=O)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H28N4O2/c1-2-6-11(18-14(16)20)13(19)17-12(9-15)10-7-4-3-5-8-10/h10-12H,2-9,15H2,1H3,(H,17,19)(H3,16,18,20)/t11-,12?/m1/s1
InChIKeyYSRVJVKMIVHIAV-JHJMLUEUSA-N
XLogP0.85
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-ethylhexanamide
CID 81486044
N-(2-amino-1-cyclopropylethyl)-2-(cyclohexylmethyl)pentanamide
CID 119615833
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
N-(2-amino-1-cyclohexylethyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119590156
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
1-(2-amino-1-cyclopentylethyl)-3-propylurea
CID 106737729
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide?
The IUPAC name of (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide (CID 119591011) is (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide.
What is the SMILES notation for (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide?
The canonical SMILES for (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide is CCC[C@@H](NC(N)=O)C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide?
The InChIKey is YSRVJVKMIVHIAV-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-2-6-11(18-14(16)20)13(19)17-12(9-15)10-7-4-3-5-8-10/h10-12H,2-9,15H2,1H3,(H,17,19)(H3,16,18,20)/t11-,12?/m1/s1.
What are the key properties of (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide?
(2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide has a molecular weight of 284.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-1-cyclohexylethyl)-2-(carbamoylamino)pentanamide is sourced from PubChem (CID 119591011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).