(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

C12H24N4O4 — CID 107827361

IUPAC(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCCN(CC)CC(C)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H24N4O4/c1-4-16(5-2)7-8(3)14-12(20)15-9(11(18)19)6-10(13)17/h8-9H,4-7H2,1-3H3,(H2,13,17)(H,18,19)(H2,14,15,20)/t8?,9-/m1/s1
InChIKeyHDBBHQYPOQHVBU-YGPZHTELSA-N
MW288.35 g/mol
LogP-0.66
Rot. Bonds9

About (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 107827361) has the molecular formula C12H24N4O4 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
PubChem CID107827361
Molecular FormulaC12H24N4O4
Molecular Weight288.35 g/mol
Exact Mass288.18
IUPAC Name(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCCN(CC)CC(C)NC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H24N4O4/c1-4-16(5-2)7-8(3)14-12(20)15-9(11(18)19)6-10(13)17/h8-9H,4-7H2,1-3H3,(H2,13,17)(H,18,19)(H2,14,15,20)/t8?,9-/m1/s1
InChIKeyHDBBHQYPOQHVBU-YGPZHTELSA-N
XLogP-0.66
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63305211
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2R)-4-amino-2-(hexan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107827459
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595
(2R)-4-amino-4-oxo-2-(pent-4-yn-2-ylcarbamoylamino)butanoic acid
CID 107829038
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692
4-[1-(diethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81069065

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (CID 107827361) is (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is CCN(CC)CC(C)NC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is HDBBHQYPOQHVBU-YGPZHTELSA-N. The full InChI is InChI=1S/C12H24N4O4/c1-4-16(5-2)7-8(3)14-12(20)15-9(11(18)19)6-10(13)17/h8-9H,4-7H2,1-3H3,(H2,13,17)(H,18,19)(H2,14,15,20)/t8?,9-/m1/s1.
What are the key properties of (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 288.35 g/mol, XLogP of -0.66, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107827361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).