methyl (2S)-2-(cyclohexanecarbonylamino)propanoate

C11H19NO3 — CID 2476646

IUPACmethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyDINPVBNHISPFQB-QMMMGPOBSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds3

About methyl (2S)-2-(cyclohexanecarbonylamino)propanoate

methyl (2S)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 2476646) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2S)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID2476646
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2S)-2-(cyclohexanecarbonylamino)propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyDINPVBNHISPFQB-QMMMGPOBSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
methyl 2-[(3-aminocyclopentanecarbonyl)amino]propanoate;hydrochloride
CID 119726434
methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
CID 166727828
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(cyclohexanecarbonylamino)propanoate (CID 2476646) is methyl (2S)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(cyclohexanecarbonylamino)propanoate is COC(=O)[C@H](C)NC(=O)C1CCCCC1.
What is the InChIKey of methyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is DINPVBNHISPFQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclohexanecarbonylamino)propanoate?
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 2476646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).