pentan-2-yl (2S)-2-aminopentanoate

C10H21NO2 — CID 107565809

IUPACpentan-2-yl (2S)-2-aminopentanoate
SMILESCCCC(C)OC(=O)[C@@H](N)CCC
InChIInChI=1S/C10H21NO2/c1-4-6-8(3)13-10(12)9(11)7-5-2/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyWHCDHKFGRWOSLO-GKAPJAKFSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds6

About pentan-2-yl (2S)-2-aminopentanoate

pentan-2-yl (2S)-2-aminopentanoate (PubChem CID 107565809) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is pentan-2-yl (2S)-2-aminopentanoate.

Molecular Properties

Compound Namepentan-2-yl (2S)-2-aminopentanoate
PubChem CID107565809
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepentan-2-yl (2S)-2-aminopentanoate
SMILESCCCC(C)OC(=O)[C@@H](N)CCC
InChIInChI=1S/C10H21NO2/c1-4-6-8(3)13-10(12)9(11)7-5-2/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyWHCDHKFGRWOSLO-GKAPJAKFSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312
hexadecan-2-yl (2S)-2,6-diaminohexanoate
CID 56638028
methyl 2-aminopentanoate
CID 533890
dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
1-methoxypropan-2-yl (2S)-2-aminohexanoate
CID 107145228
azane;pentan-2-yl acetate
CID 174372937
2-methoxy-3-oxo-3-pentan-2-yloxypropanoic acid
CID 141161472
pentan-2-yl 2-butyloctanoate
CID 126658986
[(2S)-pentan-2-yl] 2,2,3-trimethylbutanoate
CID 156672782

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl (2S)-2-aminopentanoate?
The IUPAC name of pentan-2-yl (2S)-2-aminopentanoate (CID 107565809) is pentan-2-yl (2S)-2-aminopentanoate.
What is the SMILES notation for pentan-2-yl (2S)-2-aminopentanoate?
The canonical SMILES for pentan-2-yl (2S)-2-aminopentanoate is CCCC(C)OC(=O)[C@@H](N)CCC.
What is the InChIKey of pentan-2-yl (2S)-2-aminopentanoate?
The InChIKey is WHCDHKFGRWOSLO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-8(3)13-10(12)9(11)7-5-2/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of pentan-2-yl (2S)-2-aminopentanoate?
pentan-2-yl (2S)-2-aminopentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl (2S)-2-aminopentanoate is sourced from PubChem (CID 107565809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).