(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid

C13H25N3O3 — CID 107567233

IUPAC(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CC1CCCN1C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-6-11(12(17)18)14-13(19)16(3)9-10-7-5-8-15(10)2/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyUWDVCNXMEGTSFU-DTIOYNMSSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds6

About (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid

(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid (PubChem CID 107567233) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
PubChem CID107567233
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CC1CCCN1C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-6-11(12(17)18)14-13(19)16(3)9-10-7-5-8-15(10)2/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1
InChIKeyUWDVCNXMEGTSFU-DTIOYNMSSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 79311373
5-amino-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 79311374
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79315110
(2R)-3,3-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 103928149
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]butanoic acid
CID 79315607
(2S)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107828305
(2S)-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]hexanoic acid
CID 107146078
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 79312017
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid (CID 107567233) is (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid is CCC[C@H](NC(=O)N(C)CC1CCCN1C)C(=O)O.
What is the InChIKey of (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid?
The InChIKey is UWDVCNXMEGTSFU-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-6-11(12(17)18)14-13(19)16(3)9-10-7-5-8-15(10)2/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid?
(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).