(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid

C8H15N3O3 — CID 70098972

IUPAC(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H15N3O3/c1-5(9)7(12)10-6-2-3-11(4-6)8(13)14/h5-6H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChIKeyWEUKVZMJAAEEED-WDSKDSINSA-N
MW201.23 g/mol
LogP-0.80
Rot. Bonds2

About (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid

(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid (PubChem CID 70098972) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
PubChem CID70098972
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
SMILESC[C@H](N)C(=O)N[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H15N3O3/c1-5(9)7(12)10-6-2-3-11(4-6)8(13)14/h5-6H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1
InChIKeyWEUKVZMJAAEEED-WDSKDSINSA-N
XLogP-0.80
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
3-acetamidopyrrolidine-1-carboxylic acid
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(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
(3S)-3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 126666154
(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
(2R)-2-amino-N-(1-cyclopentylpiperidin-4-yl)propanamide
CID 119846668

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid (CID 70098972) is (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid is C[C@H](N)C(=O)N[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid?
The InChIKey is WEUKVZMJAAEEED-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(9)7(12)10-6-2-3-11(4-6)8(13)14/h5-6H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid?
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid has a molecular weight of 201.23 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 70098972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).