(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid

C9H17NO3 — CID 106702722

IUPAC(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC1CCCO1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-8(9(11)12)5-1-3-7-4-2-6-13-7/h7-8H,1-6,10H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyFOLJKKVQZCXMIZ-MQWKRIRWSA-N
MW187.24 g/mol
LogP0.75
Rot. Bonds5

About (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid

(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid (PubChem CID 106702722) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
PubChem CID106702722
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC1CCCO1)C(=O)O
InChIInChI=1S/C9H17NO3/c10-8(9(11)12)5-1-3-7-4-2-6-13-7/h7-8H,1-6,10H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyFOLJKKVQZCXMIZ-MQWKRIRWSA-N
XLogP0.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
CID 10856576
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
CID 104681070
6-amino-2-[3-(oxolan-2-yl)propyl]hexanoic acid
CID 104681592
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
2-amino-4-(1,4-dioxepan-5-yl)butanoic acid
CID 131970321
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
CID 104681591
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid (CID 106702722) is (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid is N[C@@H](CCCC1CCCO1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid?
The InChIKey is FOLJKKVQZCXMIZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17NO3/c10-8(9(11)12)5-1-3-7-4-2-6-13-7/h7-8H,1-6,10H2,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid?
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(oxolan-2-yl)pentanoic acid is sourced from PubChem (CID 106702722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).