(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid

C10H19N3O4 — CID 61189349

IUPAC(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)12-10(17)13-7(9(15)16)4-5-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1
InChIKeyYOAGUNOKWIQHMM-MLWJPKLSSA-N
MW245.28 g/mol
LogP-0.20
Rot. Bonds7

About (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 61189349) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID61189349
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)12-10(17)13-7(9(15)16)4-5-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1
InChIKeyYOAGUNOKWIQHMM-MLWJPKLSSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107831147
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
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
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
(2S)-5-amino-2-[[2-(butan-2-ylamino)acetyl]amino]-5-oxopentanoic acid
CID 61162097
(2R)-5-amino-2-(1-methoxybutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830928
(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)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid (CID 61189349) is (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid is CCC(C)NC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is YOAGUNOKWIQHMM-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-6(2)12-10(17)13-7(9(15)16)4-5-8(11)14/h6-7H,3-5H2,1-2H3,(H2,11,14)(H,15,16)(H2,12,13,17)/t6?,7-/m0/s1.
What are the key properties of (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 61189349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).