methyl (2R)-2-[chloro(methyl)amino]pentanoate

C7H14ClNO2 — CID 137490579

IUPACmethyl (2R)-2-[chloro(methyl)amino]pentanoate
SMILESCCC[C@H](C(=O)OC)N(C)Cl
InChIInChI=1S/C7H14ClNO2/c1-4-5-6(9(2)8)7(10)11-3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUAVYSHAFAJDBGO-ZCFIWIBFSA-N
MW179.65 g/mol
LogP1.41
Rot. Bonds4

About methyl (2R)-2-[chloro(methyl)amino]pentanoate

methyl (2R)-2-[chloro(methyl)amino]pentanoate (PubChem CID 137490579) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl (2R)-2-[chloro(methyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[chloro(methyl)amino]pentanoate
PubChem CID137490579
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl (2R)-2-[chloro(methyl)amino]pentanoate
SMILESCCC[C@H](C(=O)OC)N(C)Cl
InChIInChI=1S/C7H14ClNO2/c1-4-5-6(9(2)8)7(10)11-3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUAVYSHAFAJDBGO-ZCFIWIBFSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[chloro(methyl)amino]pentanoate?
The IUPAC name of methyl (2R)-2-[chloro(methyl)amino]pentanoate (CID 137490579) is methyl (2R)-2-[chloro(methyl)amino]pentanoate.
What is the SMILES notation for methyl (2R)-2-[chloro(methyl)amino]pentanoate?
The canonical SMILES for methyl (2R)-2-[chloro(methyl)amino]pentanoate is CCC[C@H](C(=O)OC)N(C)Cl.
What is the InChIKey of methyl (2R)-2-[chloro(methyl)amino]pentanoate?
The InChIKey is UAVYSHAFAJDBGO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-4-5-6(9(2)8)7(10)11-3/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-[chloro(methyl)amino]pentanoate?
methyl (2R)-2-[chloro(methyl)amino]pentanoate has a molecular weight of 179.65 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[chloro(methyl)amino]pentanoate is sourced from PubChem (CID 137490579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).