methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate

C15H22N2O3 — CID 7660335

IUPACmethyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
SMILESCCCCc1ccc(NC(=O)N[C@H](C)C(=O)OC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-5-6-12-7-9-13(10-8-12)17-15(19)16-11(2)14(18)20-3/h7-11H,4-6H2,1-3H3,(H2,16,17,19)/t11-/m1/s1
InChIKeyQBGPQUZYPYSXGD-LLVKDONJSA-N
MW278.35 g/mol
LogP2.71
Rot. Bonds6

About methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate

methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate (PubChem CID 7660335) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
PubChem CID7660335
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
SMILESCCCCc1ccc(NC(=O)N[C@H](C)C(=O)OC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-5-6-12-7-9-13(10-8-12)17-15(19)16-11(2)14(18)20-3/h7-11H,4-6H2,1-3H3,(H2,16,17,19)/t11-/m1/s1
InChIKeyQBGPQUZYPYSXGD-LLVKDONJSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate
CID 2022302
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61197493
1-[(2R)-1-chloropropan-2-yl]-3-(4-heptylphenyl)urea
CID 12985368
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910903
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate (CID 7660335) is methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate is CCCCc1ccc(NC(=O)N[C@H](C)C(=O)OC)cc1.
What is the InChIKey of methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate?
The InChIKey is QBGPQUZYPYSXGD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-6-12-7-9-13(10-8-12)17-15(19)16-11(2)14(18)20-3/h7-11H,4-6H2,1-3H3,(H2,16,17,19)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate?
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 7660335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).