2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid

C12H22N2O3 — CID 96553143

IUPAC2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CC[C@H](CN(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11-4-5-13(6-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyOBSZRIFCDHBXOH-NSHDSACASA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds5

About 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid

2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid (PubChem CID 96553143) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
PubChem CID96553143
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
SMILESCC(=O)N1CC[C@H](CN(CC(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11-4-5-13(6-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyOBSZRIFCDHBXOH-NSHDSACASA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
1-[(3S)-3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553193
1-[3-[[2-aminoethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66565532
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
2-[[(3R)-1-acetylpyrrolidin-3-yl]methoxy]acetic acid
CID 96551850
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
CID 107133659
1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553174
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid (CID 96553143) is 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid is CC(=O)N1CC[C@H](CN(CC(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The InChIKey is OBSZRIFCDHBXOH-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)14(8-12(16)17)7-11-4-5-13(6-11)10(3)15/h9,11H,4-8H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid?
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 96553143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).