(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid

C6H13N3O3 — CID 163538883

IUPAC(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(NN)C(=O)O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-3(5(7)10)2-4(9-8)6(11)12/h3-4,9H,2,8H2,1H3,(H2,7,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyDZILSFWQVHQAHL-WUCPZUCCSA-N
MW175.19 g/mol
LogP-1.59
Rot. Bonds5

About (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid

(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid (PubChem CID 163538883) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid
PubChem CID163538883
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(NN)C(=O)O)C(N)=O
InChIInChI=1S/C6H13N3O3/c1-3(5(7)10)2-4(9-8)6(11)12/h3-4,9H,2,8H2,1H3,(H2,7,10)(H,11,12)/t3-,4?/m0/s1
InChIKeyDZILSFWQVHQAHL-WUCPZUCCSA-N
XLogP-1.59
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
2,4-dimethyl-N'-prop-2-ynylpentanediamide
CID 153419083
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
methane;2-methylbutanamide
CID 158835184
(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
(2S)-2-hydrazinylheptanoic acid
CID 118266927
1-hydrazinylethanol;oxalic acid
CID 174529784
(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
CID 150696785
(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
CID 163867560

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid (CID 163538883) is (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid is C[C@@H](CC(NN)C(=O)O)C(N)=O.
What is the InChIKey of (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid?
The InChIKey is DZILSFWQVHQAHL-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3(5(7)10)2-4(9-8)6(11)12/h3-4,9H,2,8H2,1H3,(H2,7,10)(H,11,12)/t3-,4?/m0/s1.
What are the key properties of (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid?
(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid has a molecular weight of 175.19 g/mol, XLogP of -1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 163538883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).