(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid

C16H18N2O5S — CID 119363906

IUPAC(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-9(2)8-11(16(21)22)17-13(19)10-5-7-24-15(10)18-14(20)12-4-3-6-23-12/h3-7,9,11H,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyPFHNICWPAHOSDP-LLVKDONJSA-N
MW350.40 g/mol
LogP2.82
Rot. Bonds7

About (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119363906) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119363906
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-9(2)8-11(16(21)22)17-13(19)10-5-7-24-15(10)18-14(20)12-4-3-6-23-12/h3-7,9,11H,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyPFHNICWPAHOSDP-LLVKDONJSA-N
XLogP2.82
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 23851190
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 7831360
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
2-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid
CID 2885582
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid (CID 119363906) is (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1ccsc1NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is PFHNICWPAHOSDP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-9(2)8-11(16(21)22)17-13(19)10-5-7-24-15(10)18-14(20)12-4-3-6-23-12/h3-7,9,11H,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 350.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).