(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid

C14H17NO4 — CID 124559457

IUPAC(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
SMILESO=C(C[C@@H]1CCCO1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)(H,17,18)/t11-,13-/m0/s1
InChIKeySKKCJQMKANTBCP-AAEUAGOBSA-N
MW263.29 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid

(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid (PubChem CID 124559457) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
PubChem CID124559457
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
SMILESO=C(C[C@@H]1CCCO1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)(H,17,18)/t11-,13-/m0/s1
InChIKeySKKCJQMKANTBCP-AAEUAGOBSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid (CID 124559457) is (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid is O=C(C[C@@H]1CCCO1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid?
The InChIKey is SKKCJQMKANTBCP-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)(H,17,18)/t11-,13-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 124559457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).