(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid

C8H10N2O4 — CID 131866589

IUPAC(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
SMILESN[C@H](CNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyOFWIOWUJPQCBBS-RXMQYKEDSA-N
MW198.18 g/mol
LogP-0.58
Rot. Bonds4

About (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid

(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid (PubChem CID 131866589) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
PubChem CID131866589
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
SMILESN[C@H](CNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyOFWIOWUJPQCBBS-RXMQYKEDSA-N
XLogP-0.58
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxamide
CID 7496015
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid (CID 131866589) is (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid is N[C@H](CNC(=O)c1ccco1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid?
The InChIKey is OFWIOWUJPQCBBS-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid?
(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid is sourced from PubChem (CID 131866589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).