(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid

C10H20N2O2 — CID 164658709

IUPAC(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid
SMILESC[C@H](NC1CN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(9(13)14)11-8-5-10(2,3)12(4)6-8/h7-8,11H,5-6H2,1-4H3,(H,13,14)/t7-,8?/m0/s1
InChIKeyXUMQLRGNGDNSCD-JAMMHHFISA-N
MW200.28 g/mol
LogP0.53
Rot. Bonds3

About (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid

(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid (PubChem CID 164658709) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid
PubChem CID164658709
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid
SMILESC[C@H](NC1CN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7(9(13)14)11-8-5-10(2,3)12(4)6-8/h7-8,11H,5-6H2,1-4H3,(H,13,14)/t7-,8?/m0/s1
InChIKeyXUMQLRGNGDNSCD-JAMMHHFISA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
2-(spiro[4.5]decan-8-ylamino)propanoic acid
CID 114817551
2-(2-adamantylamino)propanoic acid
CID 61499688
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
(2R)-2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 104937472
(2R)-2-[(3,3-dimethylcyclobutyl)amino]propanamide
CID 130678752
[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
CID 129462864
(1,5,5-trimethylpyrrolidin-3-yl)methanol
CID 117018814
2-(cyclopenta-2,4-dien-1-ylamino)propanoic acid
CID 87731809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid (CID 164658709) is (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid is C[C@H](NC1CN(C)C(C)(C)C1)C(=O)O.
What is the InChIKey of (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is XUMQLRGNGDNSCD-JAMMHHFISA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(9(13)14)11-8-5-10(2,3)12(4)6-8/h7-8,11H,5-6H2,1-4H3,(H,13,14)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid?
(2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,5,5-trimethylpyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 164658709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).