2-(2-chloroethoxycarbonylamino)propanoic acid

C6H10ClNO4 — CID 78070578

IUPAC2-(2-chloroethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCCCl)C(=O)O
InChIInChI=1S/C6H10ClNO4/c1-4(5(9)10)8-6(11)12-3-2-7/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyYPAKZICORJLNPR-UHFFFAOYSA-N
MW195.60 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-chloroethoxycarbonylamino)propanoic acid

2-(2-chloroethoxycarbonylamino)propanoic acid (PubChem CID 78070578) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is 2-(2-chloroethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-chloroethoxycarbonylamino)propanoic acid
PubChem CID78070578
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Name2-(2-chloroethoxycarbonylamino)propanoic acid
SMILESCC(NC(=O)OCCCl)C(=O)O
InChIInChI=1S/C6H10ClNO4/c1-4(5(9)10)8-6(11)12-3-2-7/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyYPAKZICORJLNPR-UHFFFAOYSA-N
XLogP0.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
dodecyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720984
octyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720964
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
2-[[(1S)-1-carboxyethyl]carbamoyloxy]ethyl-triphenylphosphanium chloride
CID 131881968
1,3-dichloropropan-2-one;2-(phenylmethoxycarbonylamino)propanoic acid
CID 20833192
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
2-(1-bromoethoxycarbonylamino)propanoic acid
CID 87845252
2-chloroethyl N-(methylamino)carbamate
CID 55302398
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
1,3-dichloropropan-2-one;(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 170987626

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxycarbonylamino)propanoic acid?
The IUPAC name of 2-(2-chloroethoxycarbonylamino)propanoic acid (CID 78070578) is 2-(2-chloroethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-(2-chloroethoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-(2-chloroethoxycarbonylamino)propanoic acid is CC(NC(=O)OCCCl)C(=O)O.
What is the InChIKey of 2-(2-chloroethoxycarbonylamino)propanoic acid?
The InChIKey is YPAKZICORJLNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO4/c1-4(5(9)10)8-6(11)12-3-2-7/h4H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-(2-chloroethoxycarbonylamino)propanoic acid?
2-(2-chloroethoxycarbonylamino)propanoic acid has a molecular weight of 195.60 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 78070578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).