methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate

C11H21N3O3 — CID 123187710

IUPACmethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)C1CC(N)CN1)C(=O)OC
InChIInChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15)
InChIKeyNOILOHYNUAFIRC-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.87
Rot. Bonds5

About methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate

methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate (PubChem CID 123187710) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
PubChem CID123187710
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)C1CC(N)CN1)C(=O)OC
InChIInChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15)
InChIKeyNOILOHYNUAFIRC-UHFFFAOYSA-N
XLogP-0.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
methyl (2S)-2-[[(2S,4S)-4-tert-butylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163861461
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
CID 61214957
bis[6-(2-hexyldecanoyloxy)hexyl] (2S)-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]pentanedioate
CID 178143714
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine;ethane;methyl 2-acetamidopentanoate
CID 90922474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate (CID 123187710) is methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate is CCCC(NC(=O)C1CC(N)CN1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The InChIKey is NOILOHYNUAFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate has a molecular weight of 243.31 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 123187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).