(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid

C11H13N3O5 — CID 56774524

IUPAC(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESO=C(N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-4-14(11(19)13-8)5-7(10(17)18)12-9(16)6-1-2-6/h3-4,6-7H,1-2,5H2,(H,12,16)(H,17,18)(H,13,15,19)/t7-/m0/s1
InChIKeyGXIRLPDBIGDXCV-ZETCQYMHSA-N
MW267.24 g/mol
LogP-1.48
Rot. Bonds5

About (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid

(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 56774524) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID56774524
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESO=C(N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-4-14(11(19)13-8)5-7(10(17)18)12-9(16)6-1-2-6/h3-4,6-7H,1-2,5H2,(H,12,16)(H,17,18)(H,13,15,19)/t7-/m0/s1
InChIKeyGXIRLPDBIGDXCV-ZETCQYMHSA-N
XLogP-1.48
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid (CID 56774524) is (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid is O=C(N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O)C1CC1.
What is the InChIKey of (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is GXIRLPDBIGDXCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-4-14(11(19)13-8)5-7(10(17)18)12-9(16)6-1-2-6/h3-4,6-7H,1-2,5H2,(H,12,16)(H,17,18)(H,13,15,19)/t7-/m0/s1.
What are the key properties of (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 267.24 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 56774524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).