(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid

C11H18N4O3 — CID 114262609

IUPAC(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(C)c1nn(C)cc1NC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-6(2)9-8(5-15(4)14-9)13-11(18)12-7(3)10(16)17/h5-7H,1-4H3,(H,16,17)(H2,12,13,18)/t7-/m1/s1
InChIKeyICRDCNQQAUVUKJ-SSDOTTSWSA-N
MW254.29 g/mol
LogP1.14
Rot. Bonds4

About (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid

(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid (PubChem CID 114262609) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
PubChem CID114262609
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
SMILESCC(C)c1nn(C)cc1NC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-6(2)9-8(5-15(4)14-9)13-11(18)12-7(3)10(16)17/h5-7H,1-4H3,(H,16,17)(H2,12,13,18)/t7-/m1/s1
InChIKeyICRDCNQQAUVUKJ-SSDOTTSWSA-N
XLogP1.14
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid (CID 114262609) is (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid is CC(C)c1nn(C)cc1NC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
The InChIKey is ICRDCNQQAUVUKJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6(2)9-8(5-15(4)14-9)13-11(18)12-7(3)10(16)17/h5-7H,1-4H3,(H,16,17)(H2,12,13,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid?
(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 114262609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).