methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate

C11H20N2O3 — CID 166727828

IUPACmethyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
SMILESCOC(=O)C(CN)NC(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-16-11(15)9(7-12)13-10(14)8-5-3-2-4-6-8/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeySQHXZOWXDWOGEN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.18
Rot. Bonds4

About methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate

methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 166727828) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
PubChem CID166727828
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
SMILESCOC(=O)C(CN)NC(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-16-11(15)9(7-12)13-10(14)8-5-3-2-4-6-8/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeySQHXZOWXDWOGEN-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate
CID 22213950
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate (CID 166727828) is methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate is COC(=O)C(CN)NC(=O)C1CCCCC1.
What is the InChIKey of methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is SQHXZOWXDWOGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-16-11(15)9(7-12)13-10(14)8-5-3-2-4-6-8/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate?
methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 166727828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).