2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate

C11H21NO2 — CID 106202505

IUPAC2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCCC1CC1
InChIInChI=1S/C11H21NO2/c1-3-8(2)10(12)11(13)14-7-6-9-4-5-9/h8-10H,3-7,12H2,1-2H3/t8-,10-/m0/s1
InChIKeyADOOOUDHQGYXOX-WPRPVWTQSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds6

About 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate

2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate (PubChem CID 106202505) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
PubChem CID106202505
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
SMILESCC[C@H](C)[C@H](N)C(=O)OCCC1CC1
InChIInChI=1S/C11H21NO2/c1-3-8(2)10(12)11(13)14-7-6-9-4-5-9/h8-10H,3-7,12H2,1-2H3/t8-,10-/m0/s1
InChIKeyADOOOUDHQGYXOX-WPRPVWTQSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
4-amino-1-cyclopropyl-5-methylheptan-3-one
CID 116552846
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
2,2,2-trifluoroethyl (2S,3S)-2-amino-3-methylpentanoate
CID 15170730
2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate?
The IUPAC name of 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate (CID 106202505) is 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate.
What is the SMILES notation for 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate?
The canonical SMILES for 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate is CC[C@H](C)[C@H](N)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate?
The InChIKey is ADOOOUDHQGYXOX-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8(2)10(12)11(13)14-7-6-9-4-5-9/h8-10H,3-7,12H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate?
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 106202505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).