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

C10H18N2O2 — CID 66565601

IUPAC2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCN1CC[C@H](N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C10H18N2O2/c1-11-5-4-9(6-11)12(7-10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyKLQOUAQSIFUAKE-VIFPVBQESA-N
MW198.27 g/mol
LogP0.24
Rot. Bonds4

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

2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid (PubChem CID 66565601) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid
PubChem CID66565601
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid
SMILESCN1CC[C@H](N(CC(=O)O)C2CC2)C1
InChIInChI=1S/C10H18N2O2/c1-11-5-4-9(6-11)12(7-10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyKLQOUAQSIFUAKE-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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid (CID 66565601) is 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid is CN1CC[C@H](N(CC(=O)O)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid?
The InChIKey is KLQOUAQSIFUAKE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-5-4-9(6-11)12(7-10(13)14)8-2-3-8/h8-9H,2-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid?
2-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]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-[cyclopropyl-[(3S)-1-methylpyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 66565601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).