(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C7H16ClN3O2 — CID 130652446

IUPAC(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C7H15N3O2.ClH/c8-1-2-9-7(12)6-3-5(11)4-10-6;/h5-6,10-11H,1-4,8H2,(H,9,12);1H/t5-,6-;/m1./s1
InChIKeyFKSGAYGYPSAFNS-KGZKBUQUSA-N
MW209.68 g/mol
LogP-1.79
Rot. Bonds3

About (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130652446) has the molecular formula C7H16ClN3O2 and a molecular weight of 209.68 g/mol. Its IUPAC name is (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID130652446
Molecular FormulaC7H16ClN3O2
Molecular Weight209.68 g/mol
Exact Mass209.09
IUPAC Name(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C7H15N3O2.ClH/c8-1-2-9-7(12)6-3-5(11)4-10-6;/h5-6,10-11H,1-4,8H2,(H,9,12);1H/t5-,6-;/m1./s1
InChIKeyFKSGAYGYPSAFNS-KGZKBUQUSA-N
XLogP-1.79
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 130652446) is (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.NCCNC(=O)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FKSGAYGYPSAFNS-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H15N3O2.ClH/c8-1-2-9-7(12)6-3-5(11)4-10-6;/h5-6,10-11H,1-4,8H2,(H,9,12);1H/t5-,6-;/m1./s1.
What are the key properties of (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130652446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).