methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate

C15H28N2O3 — CID 103245661

IUPACmethyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCC(NC(C)=O)C(=O)OC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-12-6-8-13(9-7-12)16-10-14(15(19)20-3)17-11(2)18/h12-14,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyOGXYJURPQSZSLF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds7

About methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate

methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate (PubChem CID 103245661) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
PubChem CID103245661
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
SMILESCCCC1CCC(NCC(NC(C)=O)C(=O)OC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-5-12-6-8-13(9-7-12)16-10-14(15(19)20-3)17-11(2)18/h12-14,16H,4-10H2,1-3H3,(H,17,18)
InChIKeyOGXYJURPQSZSLF-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 103253399
2-acetamido-N-(4-propylcyclohexyl)-3-sulfanylpropanamide
CID 107769292
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
CID 103260594
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
CID 79624157
methyl (2S)-2-acetamidobutanoate
CID 11084154

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate (CID 103245661) is methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate is CCCC1CCC(NCC(NC(C)=O)C(=O)OC)CC1.
What is the InChIKey of methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate?
The InChIKey is OGXYJURPQSZSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-12-6-8-13(9-7-12)16-10-14(15(19)20-3)17-11(2)18/h12-14,16H,4-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate?
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate has a molecular weight of 284.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate is sourced from PubChem (CID 103245661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).