(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

C13H25N3O3 — CID 54991499

IUPAC(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10-6-3-4-8-16(10)9-5-7-14-13(19)15-11(2)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m1/s1
InChIKeyOTWSWZFNWSOZEB-RRKGBCIJSA-N
MW271.36 g/mol
LogP1.02
Rot. Bonds6

About (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid

(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (PubChem CID 54991499) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
PubChem CID54991499
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
SMILESCC1CCCCN1CCCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-10-6-3-4-8-16(10)9-5-7-14-13(19)15-11(2)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m1/s1
InChIKeyOTWSWZFNWSOZEB-RRKGBCIJSA-N
XLogP1.02
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(3-methylsulfonylpropyl)urea
CID 95292527
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
2-[3-(2-methylpiperidin-1-yl)propylamino]-1-piperidin-1-ylpropan-1-one
CID 43085200

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid (CID 54991499) is (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is CC1CCCCN1CCCNC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
The InChIKey is OTWSWZFNWSOZEB-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10-6-3-4-8-16(10)9-5-7-14-13(19)15-11(2)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid?
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 54991499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).