2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid

C10H17N3O4 — CID 116681220

IUPAC2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
SMILESCC(NC(N)=O)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-5(9(15)16)7-3-13(4-7)8(14)6(2)12-10(11)17/h5-7H,3-4H2,1-2H3,(H,15,16)(H3,11,12,17)
InChIKeyJRLXCOPDWNNTON-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.78
Rot. Bonds4

About 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid

2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid (PubChem CID 116681220) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
PubChem CID116681220
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid
SMILESCC(NC(N)=O)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H17N3O4/c1-5(9(15)16)7-3-13(4-7)8(14)6(2)12-10(11)17/h5-7H,3-4H2,1-2H3,(H,15,16)(H3,11,12,17)
InChIKeyJRLXCOPDWNNTON-UHFFFAOYSA-N
XLogP-0.78
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 79410835
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 47102273
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227
2-[1-(2-aminopent-4-enoyl)azetidin-3-yl]propanoic acid
CID 116682246
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
N-[1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136534159
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid (CID 116681220) is 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid is CC(NC(N)=O)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid?
The InChIKey is JRLXCOPDWNNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-5(9(15)16)7-3-13(4-7)8(14)6(2)12-10(11)17/h5-7H,3-4H2,1-2H3,(H,15,16)(H3,11,12,17).
What are the key properties of 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(carbamoylamino)propanoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).