(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid

C15H24N2O4 — CID 103927814

IUPAC(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(CCc1ccco1)NC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-10(7-8-11-6-5-9-21-11)16-14(20)17-12(13(18)19)15(2,3)4/h5-6,9-10,12H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,12-/m0/s1
InChIKeyIOHAYUICFMFWKE-KFJBMODSSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927814) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
PubChem CID103927814
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
SMILESCC(CCc1ccco1)NC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-10(7-8-11-6-5-9-21-11)16-14(20)17-12(13(18)19)15(2,3)4/h5-6,9-10,12H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,12-/m0/s1
InChIKeyIOHAYUICFMFWKE-KFJBMODSSA-N
XLogP2.40
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
methyl 2-[4-(furan-2-yl)butan-2-ylamino]-2-methylpropanoate
CID 43726163
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55364071
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid (CID 103927814) is (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid is CC(CCc1ccco1)NC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is IOHAYUICFMFWKE-KFJBMODSSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(7-8-11-6-5-9-21-11)16-14(20)17-12(13(18)19)15(2,3)4/h5-6,9-10,12H,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)/t10?,12-/m0/s1.
What are the key properties of (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).