(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid

C12H23N3O4 — CID 61465945

IUPAC(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(C)C(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-7(2)8(3)14-12(19)15-9(11(17)18)5-6-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1
InChIKeyCPDOWRATNOZCOA-HACHORDNSA-N
MW273.33 g/mol
LogP0.44
Rot. Bonds8

About (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 61465945) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID61465945
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(C)C(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-7(2)8(3)14-12(19)15-9(11(17)18)5-6-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1
InChIKeyCPDOWRATNOZCOA-HACHORDNSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
(2R)-5-amino-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107831147
(2S)-4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 63305245
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
5-amino-2-[(1-carboxy-4-hydroxybutyl)carbamoylamino]-5-oxopentanoic acid
CID 123228019
(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
CID 175938398

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 61465945) is (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid is CCC(C)C(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is CPDOWRATNOZCOA-HACHORDNSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-7(2)8(3)14-12(19)15-9(11(17)18)5-6-10(13)16/h7-9H,4-6H2,1-3H3,(H2,13,16)(H,17,18)(H2,14,15,19)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61465945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).