(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid

C9H17NO4 — CID 10856576

IUPAC(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC1OCCCO1)C(=O)O
InChIInChI=1S/C9H17NO4/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H,11,12)/t7-/m0/s1
InChIKeyTYVFTFFVBHFAJJ-ZETCQYMHSA-N
MW203.24 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid

(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid (PubChem CID 10856576) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
PubChem CID10856576
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
SMILESN[C@@H](CCCC1OCCCO1)C(=O)O
InChIInChI=1S/C9H17NO4/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H,11,12)/t7-/m0/s1
InChIKeyTYVFTFFVBHFAJJ-ZETCQYMHSA-N
XLogP0.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanamide
CID 57364810
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
2-amino-3-(2-methyl-1,4-oxazepan-4-yl)propanoic acid
CID 62972400
2-amino-4-(1,4-dioxepan-5-yl)butanoic acid
CID 131970321
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid (CID 10856576) is (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid is N[C@@H](CCCC1OCCCO1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid?
The InChIKey is TYVFTFFVBHFAJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO4/c10-7(9(11)12)3-1-4-8-13-5-2-6-14-8/h7-8H,1-6,10H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid?
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid is sourced from PubChem (CID 10856576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).