(2S)-2,5-diamino-5-oxo(413C)pentanoic acid

C5H10N2O3 — CID 71309916

IUPAC(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
SMILESNC(=O)[13CH2]C[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i2+1
InChIKeyZDXPYRJPNDTMRX-QQPKUSCQSA-N
MW147.14 g/mol
LogP-1.34
Rot. Bonds4

About (2S)-2,5-diamino-5-oxo(413C)pentanoic acid

(2S)-2,5-diamino-5-oxo(413C)pentanoic acid (PubChem CID 71309916) has the molecular formula C5H10N2O3 and a molecular weight of 147.14 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-oxo(413C)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
PubChem CID71309916
Molecular FormulaC5H10N2O3
Molecular Weight147.14 g/mol
Exact Mass147.07
IUPAC Name(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
SMILESNC(=O)[13CH2]C[C@H](N)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i2+1
InChIKeyZDXPYRJPNDTMRX-QQPKUSCQSA-N
XLogP-1.34
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
potassium;sodium;2,5-diamino-5-oxopentanoic acid;hydride
CID 175449212
(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-oxo(413C)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-5-oxo(413C)pentanoic acid (CID 71309916) is (2S)-2,5-diamino-5-oxo(413C)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-5-oxo(413C)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-5-oxo(413C)pentanoic acid is NC(=O)[13CH2]C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-5-oxo(413C)pentanoic acid?
The InChIKey is ZDXPYRJPNDTMRX-QQPKUSCQSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i2+1.
What are the key properties of (2S)-2,5-diamino-5-oxo(413C)pentanoic acid?
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid has a molecular weight of 147.14 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-oxo(413C)pentanoic acid is sourced from PubChem (CID 71309916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).