(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid

C15H22N2O5 — CID 2068410

IUPAC(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid
SMILESCC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C15H22N2O5/c1-9(2)7-11(15(20)21)10(3)8-13(18)16-17-14(19)12-5-4-6-22-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+/m1/s1
InChIKeyRZEPMZPIPWSLFE-MNOVXSKESA-N
MW310.35 g/mol
LogP1.81
Rot. Bonds7

About (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid

(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid (PubChem CID 2068410) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid
PubChem CID2068410
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid
SMILESCC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C15H22N2O5/c1-9(2)7-11(15(20)21)10(3)8-13(18)16-17-14(19)12-5-4-6-22-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+/m1/s1
InChIKeyRZEPMZPIPWSLFE-MNOVXSKESA-N
XLogP1.81
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772605
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
N-[2-(diethylamino)-4-methylpentyl]furan-2-carboxamide
CID 86984929
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193351

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid?
The IUPAC name of (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid (CID 2068410) is (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid.
What is the SMILES notation for (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid?
The canonical SMILES for (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid is CC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1.
What is the InChIKey of (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid?
The InChIKey is RZEPMZPIPWSLFE-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22N2O5/c1-9(2)7-11(15(20)21)10(3)8-13(18)16-17-14(19)12-5-4-6-22-12/h4-6,9-11H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid?
(2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid has a molecular weight of 310.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-2-(2-methylpropyl)-5-oxopentanoic acid is sourced from PubChem (CID 2068410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).