cyclopentyl (2S)-2-amino-3-methoxypropanoate

C9H17NO3 — CID 122538889

IUPACcyclopentyl (2S)-2-amino-3-methoxypropanoate
SMILESCOC[C@H](N)C(=O)OC1CCCC1
InChIInChI=1S/C9H17NO3/c1-12-6-8(10)9(11)13-7-4-2-3-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChIKeyKMXGAGNOAKQHFQ-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds4

About cyclopentyl (2S)-2-amino-3-methoxypropanoate

cyclopentyl (2S)-2-amino-3-methoxypropanoate (PubChem CID 122538889) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is cyclopentyl (2S)-2-amino-3-methoxypropanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-amino-3-methoxypropanoate
PubChem CID122538889
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namecyclopentyl (2S)-2-amino-3-methoxypropanoate
SMILESCOC[C@H](N)C(=O)OC1CCCC1
InChIInChI=1S/C9H17NO3/c1-12-6-8(10)9(11)13-7-4-2-3-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1
InChIKeyKMXGAGNOAKQHFQ-QMMMGPOBSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
cyclopentyl 2-aminopentanoate
CID 61278203
cyclohexyl 2,4-diamino-4-oxobutanoate
CID 22005850
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
CID 67692396
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
dicyclohexyl 2-aminobutanedioate chloride
CID 53312802
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-amino-3-methoxypropanoate?
The IUPAC name of cyclopentyl (2S)-2-amino-3-methoxypropanoate (CID 122538889) is cyclopentyl (2S)-2-amino-3-methoxypropanoate.
What is the SMILES notation for cyclopentyl (2S)-2-amino-3-methoxypropanoate?
The canonical SMILES for cyclopentyl (2S)-2-amino-3-methoxypropanoate is COC[C@H](N)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-amino-3-methoxypropanoate?
The InChIKey is KMXGAGNOAKQHFQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-6-8(10)9(11)13-7-4-2-3-5-7/h7-8H,2-6,10H2,1H3/t8-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-amino-3-methoxypropanoate?
cyclopentyl (2S)-2-amino-3-methoxypropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-amino-3-methoxypropanoate is sourced from PubChem (CID 122538889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).