4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

C9H17NO4 — CID 107214713

IUPAC4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H17NO4/c1-5(11)4-10-8(12)6(2)7(3)9(13)14/h5-7,11H,4H2,1-3H3,(H,10,12)(H,13,14)/t5-,6?,7?/m1/s1
InChIKeyQVPVCGDIDRFGSD-GRQBKTHUSA-N
MW203.24 g/mol
LogP-0.16
Rot. Bonds5

About 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 107214713) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID107214713
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NC[C@@H](C)O
InChIInChI=1S/C9H17NO4/c1-5(11)4-10-8(12)6(2)7(3)9(13)14/h5-7,11H,4H2,1-3H3,(H,10,12)(H,13,14)/t5-,6?,7?/m1/s1
InChIKeyQVPVCGDIDRFGSD-GRQBKTHUSA-N
XLogP-0.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxypentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 106120319
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498512
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
2,3-dimethyl-4-oxo-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanoic acid
CID 103496290
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498046
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (CID 107214713) is 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NC[C@@H](C)O.
What is the InChIKey of 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is QVPVCGDIDRFGSD-GRQBKTHUSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(11)4-10-8(12)6(2)7(3)9(13)14/h5-7,11H,4H2,1-3H3,(H,10,12)(H,13,14)/t5-,6?,7?/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 107214713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).