2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid

C14H25N3O3 — CID 62889383

IUPAC2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCN(C)CC1CCCN1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)9-12-4-3-7-17(12)14(20)16(10-13(18)19)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyNBFKOQFUSHMMKX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid

2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid (PubChem CID 62889383) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
PubChem CID62889383
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid
SMILESCN(C)CC1CCCN1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)9-12-4-3-7-17(12)14(20)16(10-13(18)19)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyNBFKOQFUSHMMKX-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
3-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 62890249
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76975757
2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 55128241
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
2-[cyclopropylmethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43656071
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid (CID 62889383) is 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid is CN(C)CC1CCCN1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid?
The InChIKey is NBFKOQFUSHMMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15(2)9-12-4-3-7-17(12)14(20)16(10-13(18)19)8-11-5-6-11/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 62889383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).