(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid

C9H18N2O4 — CID 104861849

IUPAC(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCCO)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(5-4-6-12)9(15)10-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyTUPUEALBYWOUFS-SSDOTTSWSA-N
MW218.25 g/mol
LogP-0.13
Rot. Bonds6

About (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid

(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid (PubChem CID 104861849) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
PubChem CID104861849
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCCO)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-3-11(5-4-6-12)9(15)10-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1
InChIKeyTUPUEALBYWOUFS-SSDOTTSWSA-N
XLogP-0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910595
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289849
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid (CID 104861849) is (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid is CCN(CCCO)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid?
The InChIKey is TUPUEALBYWOUFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-3-11(5-4-6-12)9(15)10-7(2)8(13)14/h7,12H,3-6H2,1-2H3,(H,10,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid?
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 104861849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).