2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide

C8H17N3O2 — CID 131067305

IUPAC2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide
SMILESCC(C(N)=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H17N3O2/c1-5(8(9)13)11(2)6-3-10-4-7(6)12/h5-7,10,12H,3-4H2,1-2H3,(H2,9,13)/t5?,6-,7-/m1/s1
InChIKeyHPNJOHQUXHBMSB-JXBXZBNISA-N
MW187.24 g/mol
LogP-1.88
Rot. Bonds3

About 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide

2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide (PubChem CID 131067305) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide.

Molecular Properties

Compound Name2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide
PubChem CID131067305
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide
SMILESCC(C(N)=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C8H17N3O2/c1-5(8(9)13)11(2)6-3-10-4-7(6)12/h5-7,10,12H,3-4H2,1-2H3,(H2,9,13)/t5?,6-,7-/m1/s1
InChIKeyHPNJOHQUXHBMSB-JXBXZBNISA-N
XLogP-1.88
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
CID 122236823
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
CID 114282302
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 66188069
ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
2-[azetidin-3-yl(propyl)amino]propanamide
CID 66216282
4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63703686
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide?
The IUPAC name of 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide (CID 131067305) is 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide.
What is the SMILES notation for 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide?
The canonical SMILES for 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide is CC(C(N)=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide?
The InChIKey is HPNJOHQUXHBMSB-JXBXZBNISA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(8(9)13)11(2)6-3-10-4-7(6)12/h5-7,10,12H,3-4H2,1-2H3,(H2,9,13)/t5?,6-,7-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide?
2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylamino]propanamide is sourced from PubChem (CID 131067305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).