5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

C11H21NO4 — CID 107214897

IUPAC5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC[C@@H](CO)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-8(7-13)12-9(14)5-11(2,3)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeySPBOPRTUMZFICW-QMMMGPOBSA-N
MW231.29 g/mol
LogP0.76
Rot. Bonds7

About 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 107214897) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID107214897
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC[C@@H](CO)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-8(7-13)12-9(14)5-11(2,3)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeySPBOPRTUMZFICW-QMMMGPOBSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933762
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
2-tert-butylsulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43418122
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (CID 107214897) is 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is CC[C@@H](CO)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is SPBOPRTUMZFICW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-8(7-13)12-9(14)5-11(2,3)6-10(15)16/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 107214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).