2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid

C10H18N2O4 — CID 81134707

IUPAC2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c13-9(14)7-16-5-4-12-10(15)8-2-1-3-11-6-8/h8,11H,1-7H2,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyACGHIXRKUVZESW-QMMMGPOBSA-N
MW230.26 g/mol
LogP-0.80
Rot. Bonds6

About 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid

2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid (PubChem CID 81134707) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
PubChem CID81134707
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O4/c13-9(14)7-16-5-4-12-10(15)8-2-1-3-11-6-8/h8,11H,1-7H2,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKeyACGHIXRKUVZESW-QMMMGPOBSA-N
XLogP-0.80
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
CID 79456951
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
CID 129392973
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
CID 104867451
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
2-[2-(morpholine-2-carbonylamino)ethoxy]acetic acid
CID 79457958
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid (CID 81134707) is 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid?
The InChIKey is ACGHIXRKUVZESW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-9(14)7-16-5-4-12-10(15)8-2-1-3-11-6-8/h8,11H,1-7H2,(H,12,15)(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid?
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 81134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).