2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride

C5H10ClNO2 — CID 71769504

IUPAC2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
SMILESCl.N[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyTXHWYCAFUCZXHZ-MMALYQPHSA-N
MW151.59 g/mol
LogP0.23
Rot. Bonds2

About 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride

2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride (PubChem CID 71769504) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
PubChem CID71769504
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
SMILESCl.N[C@H]1C[C@H]1CC(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyTXHWYCAFUCZXHZ-MMALYQPHSA-N
XLogP0.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-(2-bromocyclopropyl)acetic acid
CID 12943906
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetic acid
CID 118622769
2-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
2-[2-(aminomethyl)cyclobutyl]acetic acid
CID 129286668
2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
CID 170912214
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-(carboxymethyl)-4-ethylcyclopentane-1-carboxylic acid
CID 123687434
2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The IUPAC name of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride (CID 71769504) is 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride is Cl.N[C@H]1C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
The InChIKey is TXHWYCAFUCZXHZ-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c6-4-1-3(4)2-5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1.
What are the key properties of 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride?
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride is sourced from PubChem (CID 71769504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).