1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C14H17N3O4 — CID 28848692

IUPAC1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESC[C@H](CCc1ccco1)NC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)15-13(18)9-17-7-6-12(16-17)14(19)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,15,18)(H,19,20)/t10-/m1/s1
InChIKeyKFWNMQKWFVOOIK-SNVBAGLBSA-N
MW291.31 g/mol
LogP1.31
Rot. Bonds7

About 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 28848692) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID28848692
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESC[C@H](CCc1ccco1)NC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)15-13(18)9-17-7-6-12(16-17)14(19)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,15,18)(H,19,20)/t10-/m1/s1
InChIKeyKFWNMQKWFVOOIK-SNVBAGLBSA-N
XLogP1.31
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19624153
2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485713
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
1-[2-oxo-2-[1-(4-propylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502144
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 28848692) is 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is C[C@H](CCc1ccco1)NC(=O)Cn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is KFWNMQKWFVOOIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10(4-5-11-3-2-8-21-11)15-13(18)9-17-7-6-12(16-17)14(19)20/h2-3,6-8,10H,4-5,9H2,1H3,(H,15,18)(H,19,20)/t10-/m1/s1.
What are the key properties of 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 28848692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).