(2S)-5-amino-2-formamido-5-oxopentanoic acid

C6H10N2O4 — CID 2054353

IUPAC(2S)-5-amino-2-formamido-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-5(10)2-1-4(6(11)12)8-3-9/h3-4H,1-2H2,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
InChIKeyOGYYSMAGRWSNGI-BYPYZUCNSA-N
MW174.16 g/mol
LogP-1.55
Rot. Bonds6

About (2S)-5-amino-2-formamido-5-oxopentanoic acid

(2S)-5-amino-2-formamido-5-oxopentanoic acid (PubChem CID 2054353) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2S)-5-amino-2-formamido-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-formamido-5-oxopentanoic acid
PubChem CID2054353
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2S)-5-amino-2-formamido-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-5(10)2-1-4(6(11)12)8-3-9/h3-4H,1-2H2,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
InChIKeyOGYYSMAGRWSNGI-BYPYZUCNSA-N
XLogP-1.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 173018934
5-amino-2-(3-hydroxyprop-2-enylamino)-5-oxopentanoic acid
CID 174327511
5-amino-2-(3-aminoprop-2-enylamino)-5-oxopentanoic acid
CID 174425999
20-[(4-amino-1-carboxy-4-oxobutyl)amino]-20-oxoicosanoic acid
CID 88943806
5-amino-2-(but-3-enoylamino)-5-oxopentanoic acid
CID 62685356
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
CID 174723858
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-formamido-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-formamido-5-oxopentanoic acid (CID 2054353) is (2S)-5-amino-2-formamido-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-formamido-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-formamido-5-oxopentanoic acid is NC(=O)CC[C@H](NC=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-formamido-5-oxopentanoic acid?
The InChIKey is OGYYSMAGRWSNGI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-5(10)2-1-4(6(11)12)8-3-9/h3-4H,1-2H2,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-5-amino-2-formamido-5-oxopentanoic acid?
(2S)-5-amino-2-formamido-5-oxopentanoic acid has a molecular weight of 174.16 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-formamido-5-oxopentanoic acid is sourced from PubChem (CID 2054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).