(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

C11H21N3O3 — CID 70044790

IUPAC(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(C)(C)N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(13-11(2,3)12)9(15)14-6-4-5-8(14)10(16)17/h7-8,13H,4-6,12H2,1-3H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyPEYLKGSABQLMGM-MQWKRIRWSA-N
MW243.31 g/mol
LogP-0.27
Rot. Bonds4

About (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 70044790) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID70044790
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(C)(C)N)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(13-11(2,3)12)9(15)14-6-4-5-8(14)10(16)17/h7-8,13H,4-6,12H2,1-3H3,(H,16,17)/t7?,8-/m0/s1
InChIKeyPEYLKGSABQLMGM-MQWKRIRWSA-N
XLogP-0.27
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-[(2S)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70042341
1-[2-[(3-oxo-2-sulfanylbutanoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 88663408
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 70044790) is (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is CC(NC(C)(C)N)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PEYLKGSABQLMGM-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(13-11(2,3)12)9(15)14-6-4-5-8(14)10(16)17/h7-8,13H,4-6,12H2,1-3H3,(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-aminopropan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70044790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).