2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid

C10H16N2O5 — CID 61199397

IUPAC2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CCCN1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(8(13)14)11-10(16)12-5-3-4-7(12)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyXZADYAHHAMNRTQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.19
Rot. Bonds3

About 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid

2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 61199397) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID61199397
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1CCCN1C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-6(8(13)14)11-10(16)12-5-3-4-7(12)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyXZADYAHHAMNRTQ-UHFFFAOYSA-N
XLogP-0.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61199399
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64564093
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285222
(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54960242
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 61199397) is 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid is COC(=O)C1CCCN1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is XZADYAHHAMNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(8(13)14)11-10(16)12-5-3-4-7(12)9(15)17-2/h6-7H,3-5H2,1-2H3,(H,11,16)(H,13,14).
What are the key properties of 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid?
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 244.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61199397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).