(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid

C11H14N2O6 — CID 107833526

IUPAC(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCNC(=O)c1ccco1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H14N2O6/c14-7(11(17)18)6-13-9(15)3-4-12-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,16)(H,13,15)(H,17,18)/t7-/m0/s1
InChIKeyLPMVXCXFKOFEEI-ZETCQYMHSA-N
MW270.24 g/mol
LogP-1.04
Rot. Bonds7

About (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid

(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid (PubChem CID 107833526) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
PubChem CID107833526
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
SMILESO=C(CCNC(=O)c1ccco1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H14N2O6/c14-7(11(17)18)6-13-9(15)3-4-12-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,16)(H,13,15)(H,17,18)/t7-/m0/s1
InChIKeyLPMVXCXFKOFEEI-ZETCQYMHSA-N
XLogP-1.04
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
3-(furan-2-carbonylamino)propanoic acid
CID 762504
2-[[3-(furan-2-carbonylamino)propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243012
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 103876816

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid (CID 107833526) is (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid is O=C(CCNC(=O)c1ccco1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid?
The InChIKey is LPMVXCXFKOFEEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-7(11(17)18)6-13-9(15)3-4-12-10(16)8-2-1-5-19-8/h1-2,5,7,14H,3-4,6H2,(H,12,16)(H,13,15)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid?
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid has a molecular weight of 270.24 g/mol, XLogP of -1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107833526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).