2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid

C13H25N3O4 — CID 66052159

IUPAC2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N1CC(O)CC1CN(C)C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-5-11(12(18)19)14-13(20)16-8-10(17)6-9(16)7-15(2)3/h9-11,17H,4-8H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyNKUMXYDMKCYDNN-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.05
Rot. Bonds6

About 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid

2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid (PubChem CID 66052159) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid
PubChem CID66052159
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N1CC(O)CC1CN(C)C)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-5-11(12(18)19)14-13(20)16-8-10(17)6-9(16)7-15(2)3/h9-11,17H,4-8H2,1-3H3,(H,14,20)(H,18,19)
InChIKeyNKUMXYDMKCYDNN-UHFFFAOYSA-N
XLogP-0.05
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]hexanoic acid
CID 66052543
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]butanoic acid
CID 66052740
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 55128193
2-[[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 66052546
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2R)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757005
(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid (CID 66052159) is 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid is CCCC(NC(=O)N1CC(O)CC1CN(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is NKUMXYDMKCYDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-5-11(12(18)19)14-13(20)16-8-10(17)6-9(16)7-15(2)3/h9-11,17H,4-8H2,1-3H3,(H,14,20)(H,18,19).
What are the key properties of 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid?
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 66052159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).