2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid

C10H18N2O2 — CID 66568090

IUPAC2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
SMILESCN(C1CC1)[C@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-4-5-12(6-9)7-10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyRCKDDMWNMDGCNU-VIFPVBQESA-N
MW198.27 g/mol
LogP0.24
Rot. Bonds4

About 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid

2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid (PubChem CID 66568090) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
PubChem CID66568090
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid
SMILESCN(C1CC1)[C@H]1CCN(CC(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-4-5-12(6-9)7-10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyRCKDDMWNMDGCNU-VIFPVBQESA-N
XLogP0.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
3-[3-[cyclopropyl(methyl)amino]azetidin-1-yl]propanoic acid
CID 83831530
2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
2-[3-[acetyl(cyclopropyl)amino]piperidin-1-yl]acetic acid
CID 66567790
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]acetic acid
CID 96554931
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554917
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]acetic acid
CID 96554914

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid (CID 66568090) is 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid is CN(C1CC1)[C@H]1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid?
The InChIKey is RCKDDMWNMDGCNU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(8-2-3-8)9-4-5-12(6-9)7-10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid?
2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid has a molecular weight of 198.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 66568090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).