(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid

C6H11NO2 — CID 58242042

IUPAC(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
SMILESCC1CC1[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-2-4(3)5(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3?,4?,5-/m0/s1
InChIKeyZWBFDKKDVOKLPP-YCXLAJEKSA-N
MW129.16 g/mol
LogP0.05
Rot. Bonds2

About (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid

(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid (PubChem CID 58242042) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
PubChem CID58242042
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
SMILESCC1CC1[C@H](N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-2-4(3)5(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3?,4?,5-/m0/s1
InChIKeyZWBFDKKDVOKLPP-YCXLAJEKSA-N
XLogP0.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-methylcyclopentyl)acetic acid
CID 4308805
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclobutane-1-carboxylic acid
CID 10352165
(1R,6R)-6-[amino(carboxy)methyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 10331319
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
2-(2,4,6-trimethylcyclohexyl)propanoic acid
CID 54402316
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
CID 21017376
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid (CID 58242042) is (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid is CC1CC1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid?
The InChIKey is ZWBFDKKDVOKLPP-YCXLAJEKSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-2-4(3)5(7)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)/t3?,4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid?
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methylcyclopropyl)acetic acid is sourced from PubChem (CID 58242042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).