methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate

C15H22N2O5 — CID 30590977

IUPACmethyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C15H22N2O5/c1-10(2)13(17-14(19)11-6-5-9-22-11)15(20)16-8-4-7-12(18)21-3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyZLTYZFMADVRBQH-ZDUSSCGKSA-N
MW310.35 g/mol
LogP1.10
Rot. Bonds8

About methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate

methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate (PubChem CID 30590977) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
PubChem CID30590977
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C15H22N2O5/c1-10(2)13(17-14(19)11-6-5-9-22-11)15(20)16-8-4-7-12(18)21-3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)/t13-/m0/s1
InChIKeyZLTYZFMADVRBQH-ZDUSSCGKSA-N
XLogP1.10
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
methyl 2-[[2-[4-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
CID 55781658
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119394218
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]furan-2-carboxamide
CID 90112893
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78797273
N-[(2S)-1-[2-(4-tert-butylphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548381
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate?
The IUPAC name of methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate (CID 30590977) is methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate is COC(=O)CCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate?
The InChIKey is ZLTYZFMADVRBQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-10(2)13(17-14(19)11-6-5-9-22-11)15(20)16-8-4-7-12(18)21-3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,16,20)(H,17,19)/t13-/m0/s1.
What are the key properties of methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate?
methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate has a molecular weight of 310.35 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate is sourced from PubChem (CID 30590977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).