(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

C14H25N3O4 — CID 61443524

IUPAC(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(CC1CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-17(9-10-5-3-2-4-6-10)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyXFZFIAQZSSKQJG-NSHDSACASA-N
MW299.37 g/mol
LogP0.93
Rot. Bonds7

About (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61443524) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61443524
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(CC1CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-17(9-10-5-3-2-4-6-10)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyXFZFIAQZSSKQJG-NSHDSACASA-N
XLogP0.93
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]pentanedioic acid
CID 63657379
(2S)-4-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717742
(2R)-5-amino-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830868
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
5-amino-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 79311374
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 63656361
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756889
(2R)-5-amino-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830747
(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (CID 61443524) is (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is CN(CC1CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is XFZFIAQZSSKQJG-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O4/c1-17(9-10-5-3-2-4-6-10)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61443524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).