2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid

C10H20N2O2 — CID 79540937

IUPAC2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(CC1CCCN1)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(12-8(2)10(13)14)6-9-4-3-5-11-9/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZIIDXNLVBYXYGE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.58
Rot. Bonds5

About 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid

2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid (PubChem CID 79540937) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
PubChem CID79540937
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(CC1CCCN1)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(12-8(2)10(13)14)6-9-4-3-5-11-9/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyZIIDXNLVBYXYGE-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
N-methyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79541394
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358900
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid (CID 79540937) is 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid is CC(CC1CCCN1)NC(C)C(=O)O.
What is the InChIKey of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The InChIKey is ZIIDXNLVBYXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(12-8(2)10(13)14)6-9-4-3-5-11-9/h7-9,11-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 79540937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).