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

C6H13N3O3 — CID 59039488

IUPAC(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
SMILESCNN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-8-9-4(6(11)12)2-3-5(7)10/h4,8-9H,2-3H2,1H3,(H2,7,10)(H,11,12)/t4-/m0/s1
InChIKeyKRMIBTIYVHPEKF-BYPYZUCNSA-N
MW175.19 g/mol
LogP-1.57
Rot. Bonds6

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

(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid (PubChem CID 59039488) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
PubChem CID59039488
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
SMILESCNN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-8-9-4(6(11)12)2-3-5(7)10/h4,8-9H,2-3H2,1H3,(H2,7,10)(H,11,12)/t4-/m0/s1
InChIKeyKRMIBTIYVHPEKF-BYPYZUCNSA-N
XLogP-1.57
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
CID 175938398
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
(2S)-5-amino-2-formamido-5-oxopentanoic acid
CID 2054353
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
N-benzhydryl-2-(2-methylhydrazinyl)pentanediamide;ethane
CID 155707669
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
CID 142184881
(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
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid (CID 59039488) is (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid is CNN[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid?
The InChIKey is KRMIBTIYVHPEKF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-8-9-4(6(11)12)2-3-5(7)10/h4,8-9H,2-3H2,1H3,(H2,7,10)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid?
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid has a molecular weight of 175.19 g/mol, XLogP of -1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid is sourced from PubChem (CID 59039488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).