(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C15H22N2O4 — CID 103927859

IUPAC(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)12(13(18)19)16-14(20)17(10-6-7-10)9-11-5-4-8-21-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyQLNNLNJWQRRRFZ-LBPRGKRZSA-N
MW294.35 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103927859) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103927859
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)N(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)12(13(18)19)16-14(20)17(10-6-7-10)9-11-5-4-8-21-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyQLNNLNJWQRRRFZ-LBPRGKRZSA-N
XLogP2.45
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700693
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 103927859) is (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)N(Cc1ccco1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is QLNNLNJWQRRRFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)12(13(18)19)16-14(20)17(10-6-7-10)9-11-5-4-8-21-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).