2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid

C14H27N3O3 — CID 61189907

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCC1CCCN1CC)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-3-5-8-12(13(18)19)16-14(20)15-10-11-7-6-9-17(11)4-2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyMVCNEUJJDCDZHC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds8

About 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid (PubChem CID 61189907) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
PubChem CID61189907
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCC1CCCN1CC)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-3-5-8-12(13(18)19)16-14(20)15-10-11-7-6-9-17(11)4-2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyMVCNEUJJDCDZHC-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]hexanoic acid
CID 63896583
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 107146287
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
CID 106020216
6-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447348
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid (CID 61189907) is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid is CCCCC(NC(=O)NCC1CCCN1CC)C(=O)O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid?
The InChIKey is MVCNEUJJDCDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-5-8-12(13(18)19)16-14(20)15-10-11-7-6-9-17(11)4-2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid?
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 61189907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).