2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid

C12H19N5O4 — CID 61017978

IUPAC2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N5O4/c1-3-7(2)10(16-12(13)21)11(20)15-8-4-14-17(5-8)6-9(18)19/h4-5,7,10H,3,6H2,1-2H3,(H,15,20)(H,18,19)(H3,13,16,21)
InChIKeyZYUMKQUJJWMZSF-UHFFFAOYSA-N
MW297.32 g/mol
LogP-0.01
Rot. Bonds7

About 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 61017978) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID61017978
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N5O4/c1-3-7(2)10(16-12(13)21)11(20)15-8-4-14-17(5-8)6-9(18)19/h4-5,7,10H,3,6H2,1-2H3,(H,15,20)(H,18,19)(H3,13,16,21)
InChIKeyZYUMKQUJJWMZSF-UHFFFAOYSA-N
XLogP-0.01
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]pyrazol-1-yl]acetic acid
CID 61018102
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid (CID 61017978) is 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid is CCC(C)C(NC(N)=O)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is ZYUMKQUJJWMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-3-7(2)10(16-12(13)21)11(20)15-8-4-14-17(5-8)6-9(18)19/h4-5,7,10H,3,6H2,1-2H3,(H,15,20)(H,18,19)(H3,13,16,21).
What are the key properties of 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 297.32 g/mol, XLogP of -0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61017978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).