2-(cyclopropylmethylamino)acetic acid

C6H11NO2 — CID 3250245

IUPAC2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)CNCC1CC1
InChIInChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeyJOWMUWBEMDOCKB-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds4

About 2-(cyclopropylmethylamino)acetic acid

2-(cyclopropylmethylamino)acetic acid (PubChem CID 3250245) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)acetic acid
PubChem CID3250245
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(cyclopropylmethylamino)acetic acid
SMILESO=C(O)CNCC1CC1
InChIInChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKeyJOWMUWBEMDOCKB-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)acetic acid (CID 3250245) is 2-(cyclopropylmethylamino)acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)acetic acid is O=C(O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)acetic acid?
The InChIKey is JOWMUWBEMDOCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)4-7-3-5-1-2-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of 2-(cyclopropylmethylamino)acetic acid?
2-(cyclopropylmethylamino)acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)acetic acid is sourced from PubChem (CID 3250245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).