(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid

C8H17N3O3 — CID 23621315

IUPAC(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid
SMILESCC(C)NNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H17N3O3/c1-5(2)10-11-8(14)6(9)3-4-7(12)13/h5-6,10H,3-4,9H2,1-2H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyHGFIFOSVDVQFMV-LURJTMIESA-N
MW203.24 g/mol
LogP-0.79
Rot. Bonds6

About (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid

(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid (PubChem CID 23621315) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid
PubChem CID23621315
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid
SMILESCC(C)NNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C8H17N3O3/c1-5(2)10-11-8(14)6(9)3-4-7(12)13/h5-6,10H,3-4,9H2,1-2H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKeyHGFIFOSVDVQFMV-LURJTMIESA-N
XLogP-0.79
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.79
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

4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-amino-5-(methylsulfanylamino)-5-oxopentanoic acid
CID 123930229
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
CID 79001418
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
(4S)-4-amino-5-oxooctanoic acid
CID 90935550
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid (CID 23621315) is (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid is CC(C)NNC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid?
The InChIKey is HGFIFOSVDVQFMV-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(2)10-11-8(14)6(9)3-4-7(12)13/h5-6,10H,3-4,9H2,1-2H3,(H,11,14)(H,12,13)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid?
(4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(2-propan-2-ylhydrazinyl)pentanoic acid is sourced from PubChem (CID 23621315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).