(2S)-2-(2-carboxyhydrazinyl)hexanoic acid

C7H14N2O4 — CID 124632401

IUPAC(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
SMILESCCCC[C@H](NNC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-5(6(10)11)8-9-7(12)13/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyVTDGMDKNCJYWBG-YFKPBYRVSA-N
MW190.20 g/mol
LogP0.40
Rot. Bonds6

About (2S)-2-(2-carboxyhydrazinyl)hexanoic acid

(2S)-2-(2-carboxyhydrazinyl)hexanoic acid (PubChem CID 124632401) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-(2-carboxyhydrazinyl)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
PubChem CID124632401
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
SMILESCCCC[C@H](NNC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-4-5(6(10)11)8-9-7(12)13/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyVTDGMDKNCJYWBG-YFKPBYRVSA-N
XLogP0.40
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
(decan-5-ylamino)carbamic acid
CID 174628404
(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
CID 18638457
2-(methoxyamino)hexanoic acid
CID 103254320
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(dodecylamino)hexanoic acid
CID 139637216
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
calcium;hydride;2-methylhexanoic acid
CID 173227921
2-oxoheptan-3-ylcarbamic acid
CID 87957715
(2S)-2-hydrazinylheptanoic acid
CID 118266927
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-carboxyhydrazinyl)hexanoic acid?
The IUPAC name of (2S)-2-(2-carboxyhydrazinyl)hexanoic acid (CID 124632401) is (2S)-2-(2-carboxyhydrazinyl)hexanoic acid.
What is the SMILES notation for (2S)-2-(2-carboxyhydrazinyl)hexanoic acid?
The canonical SMILES for (2S)-2-(2-carboxyhydrazinyl)hexanoic acid is CCCC[C@H](NNC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(2-carboxyhydrazinyl)hexanoic acid?
The InChIKey is VTDGMDKNCJYWBG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-3-4-5(6(10)11)8-9-7(12)13/h5,8-9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-carboxyhydrazinyl)hexanoic acid?
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid has a molecular weight of 190.20 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-carboxyhydrazinyl)hexanoic acid is sourced from PubChem (CID 124632401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).