(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide

C7H14N2O3 — CID 130992087

IUPAC(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide
SMILESCC(=O)NNC(=O)[C@H](O)C(C)C
InChIInChI=1S/C7H14N2O3/c1-4(2)6(11)7(12)9-8-5(3)10/h4,6,11H,1-3H3,(H,8,10)(H,9,12)/t6-/m1/s1
InChIKeyCGUAWXMSSIVAQK-ZCFIWIBFSA-N
MW174.20 g/mol
LogP-0.83
Rot. Bonds2

About (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide

(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide (PubChem CID 130992087) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide.

Molecular Properties

Compound Name(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide
PubChem CID130992087
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide
SMILESCC(=O)NNC(=O)[C@H](O)C(C)C
InChIInChI=1S/C7H14N2O3/c1-4(2)6(11)7(12)9-8-5(3)10/h4,6,11H,1-3H3,(H,8,10)(H,9,12)/t6-/m1/s1
InChIKeyCGUAWXMSSIVAQK-ZCFIWIBFSA-N
XLogP-0.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
N'-acetyl-2-phenoxypropanehydrazide
CID 43011734
4-hydroxy-5-methyl-3-methylidenehexan-2-one
CID 11040798
(2R)-2-hydroxy-N-(3-methylbutan-2-yl)propanamide
CID 131207003
CID 170844591
CID 170844591
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
(2R)-2-hydroxy-3-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 126454803
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide?
The IUPAC name of (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide (CID 130992087) is (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide.
What is the SMILES notation for (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide?
The canonical SMILES for (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide is CC(=O)NNC(=O)[C@H](O)C(C)C.
What is the InChIKey of (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide?
The InChIKey is CGUAWXMSSIVAQK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(2)6(11)7(12)9-8-5(3)10/h4,6,11H,1-3H3,(H,8,10)(H,9,12)/t6-/m1/s1.
What are the key properties of (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide?
(2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide has a molecular weight of 174.20 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-acetyl-2-hydroxy-3-methylbutanehydrazide is sourced from PubChem (CID 130992087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).