1-chloropentyl 2-aminoacetate

C7H14ClNO2 — CID 155272437

IUPAC1-chloropentyl 2-aminoacetate
SMILESCCCCC(Cl)OC(=O)CN
InChIInChI=1S/C7H14ClNO2/c1-2-3-4-6(8)11-7(10)5-9/h6H,2-5,9H2,1H3
InChIKeyYWJWTXHHFUEHNM-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.24
Rot. Bonds5

About 1-chloropentyl 2-aminoacetate

1-chloropentyl 2-aminoacetate (PubChem CID 155272437) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-chloropentyl 2-aminoacetate.

Molecular Properties

Compound Name1-chloropentyl 2-aminoacetate
PubChem CID155272437
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-chloropentyl 2-aminoacetate
SMILESCCCCC(Cl)OC(=O)CN
InChIInChI=1S/C7H14ClNO2/c1-2-3-4-6(8)11-7(10)5-9/h6H,2-5,9H2,1H3
InChIKeyYWJWTXHHFUEHNM-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-O-(1-chloropentyl) 1-O-ethyl propanedioate
CID 174303484
bis(1-chloropentyl) dodecanedioate
CID 174646222
bis(1-chloropentyl) 2-hydroxybutanedioate
CID 174547129
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
1-aminotetradecan-2-yl 2-aminoacetate
CID 90343536
1-chlorooctyl methyl carbonate
CID 88749433
1-hydroxyicosan-3-yl 2-aminoacetate
CID 175395188
1-chloropentyl cyclopentanecarboxylate
CID 174299638
bis(1-chloropentyl) cyclobutane-1,1-dicarboxylate
CID 174336108
1-chloropentyl (2S)-2-(dodecanoylamino)propanoate
CID 175008966
1-chloropropyl octanoate
CID 177226407
1-amino-4-butyl-3-methyloctan-2-one
CID 142121996

Frequently Asked Questions

What is the IUPAC name of 1-chloropentyl 2-aminoacetate?
The IUPAC name of 1-chloropentyl 2-aminoacetate (CID 155272437) is 1-chloropentyl 2-aminoacetate.
What is the SMILES notation for 1-chloropentyl 2-aminoacetate?
The canonical SMILES for 1-chloropentyl 2-aminoacetate is CCCCC(Cl)OC(=O)CN.
What is the InChIKey of 1-chloropentyl 2-aminoacetate?
The InChIKey is YWJWTXHHFUEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-2-3-4-6(8)11-7(10)5-9/h6H,2-5,9H2,1H3.
What are the key properties of 1-chloropentyl 2-aminoacetate?
1-chloropentyl 2-aminoacetate has a molecular weight of 179.65 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentyl 2-aminoacetate is sourced from PubChem (CID 155272437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).