(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O3 — CID 54982040

IUPAC(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCc1cn[nH]c1C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-4-7(2)10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t7?,10-/m0/s1
InChIKeyFTPDRDZPNNAJPZ-MHPPCMCBSA-N
MW268.32 g/mol
LogP1.02
Rot. Bonds6

About (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid

(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 54982040) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID54982040
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)NCc1cn[nH]c1C)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-4-7(2)10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t7?,10-/m0/s1
InChIKeyFTPDRDZPNNAJPZ-MHPPCMCBSA-N
XLogP1.02
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
3,3,3-trifluoro-2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 79801201
methyl (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 43663745
methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
CID 43689096
methyl 3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
CID 43732461
2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 54896475
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 54896664
2-(carbamoylamino)-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 54896710
6-[(5-methyl-1H-pyrazol-4-yl)methylamino]-6-oxohexanoic acid
CID 54896892
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
CID 54948839
(2S)-4-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 54982037
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 54982040) is (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is CCC(C)[C@H](NC(=O)NCc1cn[nH]c1C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FTPDRDZPNNAJPZ-MHPPCMCBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-7(2)10(11(17)18)15-12(19)13-5-9-6-14-16-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H2,13,15,19)/t7?,10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid?
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 54982040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).