(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid

C11H21N3O4 — CID 80757650

IUPAC(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCCN1CCCC1CNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-14-5-3-4-8(14)6-12-11(18)13-9(7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m1/s1
InChIKeyNBJPGWPARPEMRE-YGPZHTELSA-N
MW259.31 g/mol
LogP-0.78
Rot. Bonds6

About (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80757650) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
PubChem CID80757650
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
SMILESCCN1CCCC1CNC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-2-14-5-3-4-8(14)6-12-11(18)13-9(7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m1/s1
InChIKeyNBJPGWPARPEMRE-YGPZHTELSA-N
XLogP-0.78
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]hexanoic acid
CID 61189907
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
(2S)-4-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 106020826
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid (CID 80757650) is (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid is CCN1CCCC1CNC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is NBJPGWPARPEMRE-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-2-14-5-3-4-8(14)6-12-11(18)13-9(7-15)10(16)17/h8-9,15H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).