methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate

C12H16ClNO4 — CID 106686124

IUPACmethyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccoc1Cl)C(=O)OC
InChIInChI=1S/C12H16ClNO4/c1-4-7(2)9(12(16)17-3)14-11(15)8-5-6-18-10(8)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyVIQKDTAXSGNOQM-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate

methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate (PubChem CID 106686124) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
PubChem CID106686124
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccoc1Cl)C(=O)OC
InChIInChI=1S/C12H16ClNO4/c1-4-7(2)9(12(16)17-3)14-11(15)8-5-6-18-10(8)13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyVIQKDTAXSGNOQM-UHFFFAOYSA-N
XLogP2.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
methyl (2R,3S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylpentanoate
CID 7645627
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate (CID 106686124) is methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1ccoc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate?
The InChIKey is VIQKDTAXSGNOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-4-7(2)9(12(16)17-3)14-11(15)8-5-6-18-10(8)13/h5-7,9H,4H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate has a molecular weight of 273.72 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 106686124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).