(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

C16H13ClN2O4 — CID 124705268

IUPAC(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C16H13ClN2O4/c17-14-6-5-13(23-14)15(20)19-12(16(21)22)7-9-8-18-11-4-2-1-3-10(9)11/h1-6,8,12,18H,7H2,(H,19,20)(H,21,22)/t12-/m1/s1
InChIKeyUPZNUYHJXSVQMF-GFCCVEGCSA-N
MW332.74 g/mol
LogP2.84
Rot. Bonds5

About (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 124705268) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID124705268
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)o1
InChIInChI=1S/C16H13ClN2O4/c17-14-6-5-13(23-14)15(20)19-12(16(21)22)7-9-8-18-11-4-2-1-3-10(9)11/h1-6,8,12,18H,7H2,(H,19,20)(H,21,22)/t12-/m1/s1
InChIKeyUPZNUYHJXSVQMF-GFCCVEGCSA-N
XLogP2.84
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorofuran-2-carbonyl)amino]-3-(4-fluoro-1H-indol-3-yl)propanoic acid
CID 167862017
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 3296637
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
(2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
CID 6923792
3-(1H-indol-3-yl)-2-[(2-phenylethanethioyl)amino]propanoic acid
CID 88772497
(2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339906
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
CID 88873741
CID 88873741
2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 74988650
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19785881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid (CID 124705268) is (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)o1.
What is the InChIKey of (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is UPZNUYHJXSVQMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c17-14-6-5-13(23-14)15(20)19-12(16(21)22)7-9-8-18-11-4-2-1-3-10(9)11/h1-6,8,12,18H,7H2,(H,19,20)(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 332.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chlorofuran-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 124705268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).