3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid

C10H20N2O2 — CID 79541025

IUPAC3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(CC1CCCN1)NCCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-8(11-6-4-10(13)14)7-9-3-2-5-12-9/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyOQTXKILWYUBFNK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.58
Rot. Bonds6

About 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid

3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid (PubChem CID 79541025) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
PubChem CID79541025
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
SMILESCC(CC1CCCN1)NCCC(=O)O
InChIInChI=1S/C10H20N2O2/c1-8(11-6-4-10(13)14)7-9-3-2-5-12-9/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyOQTXKILWYUBFNK-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
CID 79538171
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358900
N',N'-di(propan-2-yl)-N-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540106
N-methyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79541394
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The IUPAC name of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid (CID 79541025) is 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The canonical SMILES for 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid is CC(CC1CCCN1)NCCC(=O)O.
What is the InChIKey of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
The InChIKey is OQTXKILWYUBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11-6-4-10(13)14)7-9-3-2-5-12-9/h8-9,11-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid?
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid is sourced from PubChem (CID 79541025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).