CID 58481212

C6H12N2O2 — CID 58481212

IUPAC—
SMILESCC(CC[N])C(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyXEXVNNGLYVFERE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.51
Rot. Bonds4

About CID 58481212

CID 58481212 (PubChem CID 58481212) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol.

Molecular Properties

Compound NameCID 58481212
PubChem CID58481212
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name—
SMILESCC(CC[N])C(N)C(=O)O
InChIInChI=1S/C6H12N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)
InChIKeyXEXVNNGLYVFERE-UHFFFAOYSA-N
XLogP-0.51
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
2-amino-3-methyl-5-selanylpentanoic acid
CID 173165921
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955

Frequently Asked Questions

What is the IUPAC name of CID 58481212?
The IUPAC name of CID 58481212 (CID 58481212) is not available.
What is the SMILES notation for CID 58481212?
The canonical SMILES for CID 58481212 is CC(CC[N])C(N)C(=O)O.
What is the InChIKey of CID 58481212?
The InChIKey is XEXVNNGLYVFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10).
What are the key properties of CID 58481212?
CID 58481212 has a molecular weight of 144.17 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58481212 is sourced from PubChem (CID 58481212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).