(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid

C12H17NO5 — CID 66658289

IUPAC(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid
SMILESCC(C)CC(=O)N[C@@H](c1ccco1)[C@@H](O)C(=O)O
InChIInChI=1S/C12H17NO5/c1-7(2)6-9(14)13-10(11(15)12(16)17)8-4-3-5-18-8/h3-5,7,10-11,15H,6H2,1-2H3,(H,13,14)(H,16,17)/t10-,11+/m0/s1
InChIKeyYINRMTZUVRGLAE-WDEREUQCSA-N
MW255.27 g/mol
LogP0.93
Rot. Bonds6

About (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid

(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid (PubChem CID 66658289) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid
PubChem CID66658289
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid
SMILESCC(C)CC(=O)N[C@@H](c1ccco1)[C@@H](O)C(=O)O
InChIInChI=1S/C12H17NO5/c1-7(2)6-9(14)13-10(11(15)12(16)17)8-4-3-5-18-8/h3-5,7,10-11,15H,6H2,1-2H3,(H,13,14)(H,16,17)/t10-,11+/m0/s1
InChIKeyYINRMTZUVRGLAE-WDEREUQCSA-N
XLogP0.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79275070
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid?
The IUPAC name of (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid (CID 66658289) is (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid.
What is the SMILES notation for (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid?
The canonical SMILES for (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid is CC(C)CC(=O)N[C@@H](c1ccco1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid?
The InChIKey is YINRMTZUVRGLAE-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17NO5/c1-7(2)6-9(14)13-10(11(15)12(16)17)8-4-3-5-18-8/h3-5,7,10-11,15H,6H2,1-2H3,(H,13,14)(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid?
(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(furan-2-yl)-2-hydroxy-3-(3-methylbutanoylamino)propanoic acid is sourced from PubChem (CID 66658289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).