(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid

C13H26N4O4 — CID 107831192

IUPAC(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CCCN(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H26N4O4/c1-4-17(9-5-8-16(2)3)13(21)15-10(12(19)20)6-7-11(14)18/h10H,4-9H2,1-3H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyKAPNXAJHZNZXQK-SNVBAGLBSA-N
MW302.38 g/mol
LogP-0.31
Rot. Bonds10

About (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107831192) has the molecular formula C13H26N4O4 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
PubChem CID107831192
Molecular FormulaC13H26N4O4
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(CCCN(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H26N4O4/c1-4-17(9-5-8-16(2)3)13(21)15-10(12(19)20)6-7-11(14)18/h10H,4-9H2,1-3H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyKAPNXAJHZNZXQK-SNVBAGLBSA-N
XLogP-0.31
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 102995366
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2R)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 102995342
(2R)-5-amino-2-[[methyl(pentan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830593
(2R)-5-amino-2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830657
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
(2S,3S)-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-3-methylpentanoic acid
CID 102995394

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid (CID 107831192) is (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid is CCN(CCCN(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is KAPNXAJHZNZXQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N4O4/c1-4-17(9-5-8-16(2)3)13(21)15-10(12(19)20)6-7-11(14)18/h10H,4-9H2,1-3H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 302.38 g/mol, XLogP of -0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107831192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).