(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid

C11H19NO5 — CID 119943226

IUPAC(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(11(14)15)12-10(13)4-7-17-9-2-5-16-6-3-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyYOKQDUMSDQJFEM-QMMMGPOBSA-N
MW245.27 g/mol
LogP0.16
Rot. Bonds6

About (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid

(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid (PubChem CID 119943226) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
PubChem CID119943226
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-8(11(14)15)12-10(13)4-7-17-9-2-5-16-6-3-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyYOKQDUMSDQJFEM-QMMMGPOBSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
CID 119349069
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]-2-phenylacetic acid
CID 119372344
2-(4-bromophenyl)-2-[3-(oxan-4-yloxy)propanoylamino]acetic acid
CID 120518154
N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119666787
(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
CID 119943235
3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
3-(4-fluorophenyl)-3-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 120513072
(2S)-2-[[(3R)-oxolan-3-yl]oxycarbonylamino]propanoic acid
CID 90999920
(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473
N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid (CID 119943226) is (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid is C[C@H](NC(=O)CCOC1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid?
The InChIKey is YOKQDUMSDQJFEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(11(14)15)12-10(13)4-7-17-9-2-5-16-6-3-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid?
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid is sourced from PubChem (CID 119943226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).