2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid

C17H25N5O3 — CID 122568102

IUPAC2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(CN2CCC[C@H]2C(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c23-15(24)11-20-17-18-9-13(10-19-17)12-22-8-4-5-14(22)16(25)21-6-2-1-3-7-21/h9-10,14H,1-8,11-12H2,(H,23,24)(H,18,19,20)/t14-/m0/s1
InChIKeyHDFUQOWBDFCBCS-AWEZNQCLSA-N
MW347.42 g/mol
LogP0.95
Rot. Bonds6

About 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid

2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 122568102) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
PubChem CID122568102
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncc(CN2CCC[C@H]2C(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H25N5O3/c23-15(24)11-20-17-18-9-13(10-19-17)12-22-8-4-5-14(22)16(25)21-6-2-1-3-7-21/h9-10,14H,1-8,11-12H2,(H,23,24)(H,18,19,20)/t14-/m0/s1
InChIKeyHDFUQOWBDFCBCS-AWEZNQCLSA-N
XLogP0.95
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
2-[[5-[[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125438450
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
2-[[5-[[(3aS,6aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 139599589
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid (CID 122568102) is 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid is O=C(O)CNc1ncc(CN2CCC[C@H]2C(=O)N2CCCCC2)cn1.
What is the InChIKey of 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is HDFUQOWBDFCBCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-15(24)11-20-17-18-9-13(10-19-17)12-22-8-4-5-14(22)16(25)21-6-2-1-3-7-21/h9-10,14H,1-8,11-12H2,(H,23,24)(H,18,19,20)/t14-/m0/s1.
What are the key properties of 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid?
2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 347.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 122568102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).