2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid

C7H13NO2 — CID 55288762

IUPAC2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
SMILESCCC1C[C@]1(N)CC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-3-7(5,8)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5?,7-/m0/s1
InChIKeyJLXXAJYMMPMGSJ-MSZQBOFLSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds3

About 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid

2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid (PubChem CID 55288762) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
PubChem CID55288762
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid
SMILESCCC1C[C@]1(N)CC(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-3-7(5,8)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5?,7-/m0/s1
InChIKeyJLXXAJYMMPMGSJ-MSZQBOFLSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83848977
2-[(3S,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]acetic acid
CID 46886675
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid
CID 11768839
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-(3-amino-4-methylthiolan-3-yl)acetic acid
CID 165495135
2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 178190998
1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine
CID 102551119
1-(cyclobutylmethyl)-2-ethylcyclopropan-1-amine
CID 84649864
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid?
The IUPAC name of 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid (CID 55288762) is 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid is CCC1C[C@]1(N)CC(=O)O.
What is the InChIKey of 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid?
The InChIKey is JLXXAJYMMPMGSJ-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-5-3-7(5,8)4-6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5?,7-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid?
2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-ethylcyclopropyl]acetic acid is sourced from PubChem (CID 55288762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).