(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid

C10H16N4O3 — CID 78918579

IUPAC(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(C)n1cc(NC(=O)N[C@H](C)C(=O)O)cn1
InChIInChI=1S/C10H16N4O3/c1-6(2)14-5-8(4-11-14)13-10(17)12-7(3)9(15)16/h4-7H,1-3H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyQWGDQBDBGCBJEV-SSDOTTSWSA-N
MW240.26 g/mol
LogP1.06
Rot. Bonds4

About (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid

(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid (PubChem CID 78918579) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
PubChem CID78918579
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(C)n1cc(NC(=O)N[C@H](C)C(=O)O)cn1
InChIInChI=1S/C10H16N4O3/c1-6(2)14-5-8(4-11-14)13-10(17)12-7(3)9(15)16/h4-7H,1-3H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyQWGDQBDBGCBJEV-SSDOTTSWSA-N
XLogP1.06
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904110
(2S)-4-methoxy-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 63305171
(2S)-4-methylsulfanyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62903759
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid (CID 78918579) is (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid is CC(C)n1cc(NC(=O)N[C@H](C)C(=O)O)cn1.
What is the InChIKey of (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The InChIKey is QWGDQBDBGCBJEV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)14-5-8(4-11-14)13-10(17)12-7(3)9(15)16/h4-7H,1-3H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 78918579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).