(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid

C12H15NO4 — CID 95539585

IUPAC(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)7-13(9-4-5-9)11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyZOHPUDPFTRRSHB-MRVPVSSYSA-N
MW237.25 g/mol
LogP1.60
Rot. Bonds5

About (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 95539585) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID95539585
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
SMILESC[C@H](CN(C(=O)c1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)7-13(9-4-5-9)11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyZOHPUDPFTRRSHB-MRVPVSSYSA-N
XLogP1.60
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
(2S)-3-[(5-bromofuran-2-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 99851755
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid (CID 95539585) is (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid is C[C@H](CN(C(=O)c1ccco1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ZOHPUDPFTRRSHB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16)7-13(9-4-5-9)11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 95539585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).