2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid

C11H19N3O5 — CID 145457589

IUPAC2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(11(19)13-5-8(16)17)14-10(18)7-3-2-4-12-7/h6-7,9,12,15H,2-5H2,1H3,(H,13,19)(H,14,18)(H,16,17)/t6-,7+,9+/m1/s1
InChIKeyDCHQYSOGURGJST-FJXKBIBVSA-N
MW273.29 g/mol
LogP-2.20
Rot. Bonds6

About 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid

2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid (PubChem CID 145457589) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
PubChem CID145457589
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(15)9(11(19)13-5-8(16)17)14-10(18)7-3-2-4-12-7/h6-7,9,12,15H,2-5H2,1H3,(H,13,19)(H,14,18)(H,16,17)/t6-,7+,9+/m1/s1
InChIKeyDCHQYSOGURGJST-FJXKBIBVSA-N
XLogP-2.20
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]acetic acid
CID 175905692
(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
CID 104965322
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597
2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
CID 10290638
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 18223501
2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 51037953
(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoic acid
CID 145457584
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
CID 102282932
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid (CID 145457589) is 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid is C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid?
The InChIKey is DCHQYSOGURGJST-FJXKBIBVSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(15)9(11(19)13-5-8(16)17)14-10(18)7-3-2-4-12-7/h6-7,9,12,15H,2-5H2,1H3,(H,13,19)(H,14,18)(H,16,17)/t6-,7+,9+/m1/s1.
What are the key properties of 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid?
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of -2.20, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid is sourced from PubChem (CID 145457589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).