[(2R)-pentan-2-yl] (2S)-2-aminopropanoate

C8H17NO2 — CID 118034271

IUPAC[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
SMILESCCC[C@@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C8H17NO2/c1-4-5-6(2)11-8(10)7(3)9/h6-7H,4-5,9H2,1-3H3/t6-,7+/m1/s1
InChIKeyRMTMPOWFWWKVCS-RQJHMYQMSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds4

About [(2R)-pentan-2-yl] (2S)-2-aminopropanoate

[(2R)-pentan-2-yl] (2S)-2-aminopropanoate (PubChem CID 118034271) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(2R)-pentan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
PubChem CID118034271
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
SMILESCCC[C@@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C8H17NO2/c1-4-5-6(2)11-8(10)7(3)9/h6-7H,4-5,9H2,1-3H3/t6-,7+/m1/s1
InChIKeyRMTMPOWFWWKVCS-RQJHMYQMSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
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
pentan-2-yl N-methylcarbamate
CID 87800864
2-methylpentyl 2-aminopropanoate
CID 103284268
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565

Frequently Asked Questions

What is the IUPAC name of [(2R)-pentan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(2R)-pentan-2-yl] (2S)-2-aminopropanoate (CID 118034271) is [(2R)-pentan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(2R)-pentan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(2R)-pentan-2-yl] (2S)-2-aminopropanoate is CCC[C@@H](C)OC(=O)[C@H](C)N.
What is the InChIKey of [(2R)-pentan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is RMTMPOWFWWKVCS-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6(2)11-8(10)7(3)9/h6-7H,4-5,9H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of [(2R)-pentan-2-yl] (2S)-2-aminopropanoate?
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pentan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 118034271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).