(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid

C12H25N3O4 — CID 114005579

IUPAC(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-4-6-15(8-7-14(2)3)12(19)13-10(5-9-16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m1/s1
InChIKeySXVPOERVZVTCGB-SNVBAGLBSA-N
MW275.35 g/mol
LogP-0.19
Rot. Bonds9

About (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 114005579) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID114005579
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCCN(CCN(C)C)C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H25N3O4/c1-4-6-15(8-7-14(2)3)12(19)13-10(5-9-16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m1/s1
InChIKeySXVPOERVZVTCGB-SNVBAGLBSA-N
XLogP-0.19
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid with MolForge

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Related Compounds

(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826100
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 54988556
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61426093
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826744
(2S)-2-[[ethyl(propyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61195653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid (CID 114005579) is (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid is CCCN(CCN(C)C)C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is SXVPOERVZVTCGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-4-6-15(8-7-14(2)3)12(19)13-10(5-9-16)11(17)18/h10,16H,4-9H2,1-3H3,(H,13,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 275.35 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).