(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide

C16H30N2O3 — CID 97062296

IUPAC(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide
SMILESCCC[C@H](CC1CCCCC1)C(=O)N[C@H](COC)C(N)=O
InChIInChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20)/t13-,14-/m1/s1
InChIKeyOAXGDOLHYRLUDN-ZIAGYGMSSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds9

About (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide

(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide (PubChem CID 97062296) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide
PubChem CID97062296
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide
SMILESCCC[C@H](CC1CCCCC1)C(=O)N[C@H](COC)C(N)=O
InChIInChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20)/t13-,14-/m1/s1
InChIKeyOAXGDOLHYRLUDN-ZIAGYGMSSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 462476
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 469470
11-amino-N-[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-amino-1-cyclohexyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]undecanamide
CID 469471
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
N-[(2S)-3-hydroxy-1-oxo-1-(tetradecylamino)propan-2-yl]cyclohexanecarboxamide
CID 44254065
Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
Ac-Ser-Ala-Val-Leu-Cha-al
CID 56849696
N-(10-Aminodecanoyl)-L-Seryl-N-(2-Cyclohexylethyl)-L-Lysinamide
CID 78333407
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]cyclohexanecarboxamide
CID 44302524
11-amino-N-[(2S)-1-[[(2S)-6-amino-1-(3-cyclohexylpropylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide
CID 469494

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide?
The IUPAC name of (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide (CID 97062296) is (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide.
What is the SMILES notation for (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide?
The canonical SMILES for (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide is CCC[C@H](CC1CCCCC1)C(=O)N[C@H](COC)C(N)=O.
What is the InChIKey of (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide?
The InChIKey is OAXGDOLHYRLUDN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-7-13(10-12-8-5-4-6-9-12)16(20)18-14(11-21-2)15(17)19/h12-14H,3-11H2,1-2H3,(H2,17,19)(H,18,20)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide?
(2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide has a molecular weight of 298.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2-(cyclohexylmethyl)pentanamide is sourced from PubChem (CID 97062296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).