(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid

C14H27N3O4 — CID 61471308

IUPAC(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)5-4-6-10(3)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,4-8H2,1-3H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t10?,11-/m0/s1
InChIKeyVSGBQLXCIUCVPM-DTIOYNMSSA-N
MW301.39 g/mol
LogP1.22
Rot. Bonds10

About (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 61471308) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID61471308
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-9(2)5-4-6-10(3)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,4-8H2,1-3H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t10?,11-/m0/s1
InChIKeyVSGBQLXCIUCVPM-DTIOYNMSSA-N
XLogP1.22
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
CID 61471236
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
(2R)-5-amino-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107831147
5-amino-2-[(1-carboxy-4-hydroxybutyl)carbamoylamino]-5-oxopentanoic acid
CID 123228019
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
(2R)-4-amino-2-(hexan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107827459
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 61471308) is (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid is CC(C)CCCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is VSGBQLXCIUCVPM-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-9(2)5-4-6-10(3)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,4-8H2,1-3H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t10?,11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61471308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).