2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid

C14H20N2O5 — CID 79262022

IUPAC2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-9(15-12(19)10-6-5-7-21-10)13(20)16(8-11(17)18)14(2,3)4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNHBNERZYMRLFJZ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.11
Rot. Bonds5

About 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid

2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid (PubChem CID 79262022) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
PubChem CID79262022
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-9(15-12(19)10-6-5-7-21-10)13(20)16(8-11(17)18)14(2,3)4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyNHBNERZYMRLFJZ-UHFFFAOYSA-N
XLogP1.11
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62818067
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
2-[2-(furan-2-carbonylamino)propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 120517994
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
3-[[(2S)-2-(furan-2-carbonylamino)propanoyl]-(2-methylpropyl)amino]propanoic acid
CID 129414649
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid (CID 79262022) is 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid is CC(NC(=O)c1ccco1)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid?
The InChIKey is NHBNERZYMRLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(15-12(19)10-6-5-7-21-10)13(20)16(8-11(17)18)14(2,3)4/h5-7,9H,8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid?
2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 79262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).