3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid

C10H20N2O2 — CID 94057936

IUPAC3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
SMILESCC(C)N1CC[C@@H](NCCC(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)12-6-4-9(7-12)11-5-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIUMMMDUJEQCOLD-SECBINFHSA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds5

About 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid

3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid (PubChem CID 94057936) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
PubChem CID94057936
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
SMILESCC(C)N1CC[C@@H](NCCC(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)12-6-4-9(7-12)11-5-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyIUMMMDUJEQCOLD-SECBINFHSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
CID 115689315
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
CID 112698333
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid (CID 94057936) is 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid is CC(C)N1CC[C@@H](NCCC(=O)O)C1.
What is the InChIKey of 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid?
The InChIKey is IUMMMDUJEQCOLD-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)12-6-4-9(7-12)11-5-3-10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid?
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid is sourced from PubChem (CID 94057936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).