1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate

C10H17N3O5 — CID 73137260

IUPAC1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(NC(=O)C[NH3+])C(=O)N1CC(O)CC1C(=O)[O-]
InChIInChI=1S/C10H17N3O5/c1-5(12-8(15)3-11)9(16)13-4-6(14)2-7(13)10(17)18/h5-7,14H,2-4,11H2,1H3,(H,12,15)(H,17,18)
InChIKeyKGGYQPXQVMSTRG-UHFFFAOYSA-N
MW259.26 g/mol
LogP-4.56
Rot. Bonds4

About 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate

1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 73137260) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID73137260
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(NC(=O)C[NH3+])C(=O)N1CC(O)CC1C(=O)[O-]
InChIInChI=1S/C10H17N3O5/c1-5(12-8(15)3-11)9(16)13-4-6(14)2-7(13)10(17)18/h5-7,14H,2-4,11H2,1H3,(H,12,15)(H,17,18)
InChIKeyKGGYQPXQVMSTRG-UHFFFAOYSA-N
XLogP-4.56
TPSA137.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-4.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714914
(2S,4R)-1-(2-acetamido-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857479
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
tert-butyl (2S,4R)-2-[[(2S)-butan-2-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41374897
(2S,4S)-1-[2-(carbamoylamino)-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714057
(2S,4S)-1-(butan-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714443
(2S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714817
1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
CID 166119362
(2S,4R)-1-(4-carboxy-2-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 70609607
(2R,4R)-4-hydroxy-1-[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
CID 7082626
(2S,4S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713050
(2S)-4-hydroxy-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955310

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 73137260) is 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate is CC(NC(=O)C[NH3+])C(=O)N1CC(O)CC1C(=O)[O-].
What is the InChIKey of 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KGGYQPXQVMSTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-5(12-8(15)3-11)9(16)13-4-6(14)2-7(13)10(17)18/h5-7,14H,2-4,11H2,1H3,(H,12,15)(H,17,18).
What are the key properties of 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate?
1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 259.26 g/mol, XLogP of -4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-azaniumylacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 73137260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).