2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid

C10H17N3O4S — CID 18223501

IUPAC2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(CS)NC(=O)C1CCCN1
InChIInChI=1S/C10H17N3O4S/c14-8(15)4-12-9(16)7(5-18)13-10(17)6-2-1-3-11-6/h6-7,11,18H,1-5H2,(H,12,16)(H,13,17)(H,14,15)
InChIKeySZZBUDVXWZZPDH-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.65
Rot. Bonds6

About 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid

2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid (PubChem CID 18223501) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
PubChem CID18223501
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(CS)NC(=O)C1CCCN1
InChIInChI=1S/C10H17N3O4S/c14-8(15)4-12-9(16)7(5-18)13-10(17)6-2-1-3-11-6/h6-7,11,18H,1-5H2,(H,12,16)(H,13,17)(H,14,15)
InChIKeySZZBUDVXWZZPDH-UHFFFAOYSA-N
XLogP-1.65
TPSA107.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 51037953
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18223497
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
CID 23318222
2-[[5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetic acid
CID 18223443
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
CID 145457589
(2S,3R)-3-hydroxy-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]butanoic acid
CID 145457438
2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-1-[2-[[(2R)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 175974220
2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
(2S)-6-amino-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid
CID 145457434
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid (CID 18223501) is 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid is O=C(O)CNC(=O)C(CS)NC(=O)C1CCCN1.
What is the InChIKey of 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid?
The InChIKey is SZZBUDVXWZZPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c14-8(15)4-12-9(16)7(5-18)13-10(17)6-2-1-3-11-6/h6-7,11,18H,1-5H2,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid?
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid has a molecular weight of 275.33 g/mol, XLogP of -1.65, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid is sourced from PubChem (CID 18223501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).