methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate

C14H26N2O3 — CID 103254963

IUPACmethyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
SMILESCOC(=O)C(CNC1CCCCCC1C)NC(C)=O
InChIInChI=1S/C14H26N2O3/c1-10-7-5-4-6-8-12(10)15-9-13(14(18)19-3)16-11(2)17/h10,12-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyHTUDPWRQZHZCDE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds5

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

methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate (PubChem CID 103254963) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
PubChem CID103254963
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
SMILESCOC(=O)C(CNC1CCCCCC1C)NC(C)=O
InChIInChI=1S/C14H26N2O3/c1-10-7-5-4-6-8-12(10)15-9-13(14(18)19-3)16-11(2)17/h10,12-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyHTUDPWRQZHZCDE-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 103253399
methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
2-acetamido-N-(2-methylcyclopentyl)-3-sulfanylpropanamide
CID 107769536
methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
CID 103260594
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate (CID 103254963) is methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate is COC(=O)C(CNC1CCCCCC1C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate?
The InChIKey is HTUDPWRQZHZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-7-5-4-6-8-12(10)15-9-13(14(18)19-3)16-11(2)17/h10,12-13,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate?
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate is sourced from PubChem (CID 103254963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).