5-hydroxypentyl (2R)-2-amino-3-methylbutanoate

C10H21NO3 — CID 87078511

IUPAC5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCCCCCO
InChIInChI=1S/C10H21NO3/c1-8(2)9(11)10(13)14-7-5-3-4-6-12/h8-9,12H,3-7,11H2,1-2H3/t9-/m1/s1
InChIKeyHWGITIMITLNCEM-SECBINFHSA-N
MW203.28 g/mol
LogP0.68
Rot. Bonds7

About 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate

5-hydroxypentyl (2R)-2-amino-3-methylbutanoate (PubChem CID 87078511) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
PubChem CID87078511
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
SMILESCC(C)[C@@H](N)C(=O)OCCCCCO
InChIInChI=1S/C10H21NO3/c1-8(2)9(11)10(13)14-7-5-3-4-6-12/h8-9,12H,3-7,11H2,1-2H3/t9-/m1/s1
InChIKeyHWGITIMITLNCEM-SECBINFHSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecyl 2-amino-3-methylbutanoate
CID 6453804
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653
sodium;hydride;undec-10-enyl (2S)-2-amino-3-methylbutanoate
CID 173314376
ethanesulfonic acid;16-methylheptadecyl (2S)-2-amino-3-methylbutanoate
CID 175817715
bis(5-hydroxypentyl) carbonate
CID 54559104
6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
CID 21031358
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
4-(3-aminopropoxy)butan-1-ol;3-aminopropyl 2-aminopropanoate
CID 90107808

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate?
The IUPAC name of 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate (CID 87078511) is 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate is CC(C)[C@@H](N)C(=O)OCCCCCO.
What is the InChIKey of 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate?
The InChIKey is HWGITIMITLNCEM-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)9(11)10(13)14-7-5-3-4-6-12/h8-9,12H,3-7,11H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate?
5-hydroxypentyl (2R)-2-amino-3-methylbutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 87078511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).