(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid

C11H21N3O5 — CID 107826833

IUPAC(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)13-11(19)14-8(4-6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1
InChIKeyKDEQWXRGJFPVIX-BRFYHDHCSA-N
MW275.31 g/mol
LogP-0.96
Rot. Bonds8

About (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid (PubChem CID 107826833) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
PubChem CID107826833
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
SMILESCCCNC(=O)C(C)NC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)13-11(19)14-8(4-6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1
InChIKeyKDEQWXRGJFPVIX-BRFYHDHCSA-N
XLogP-0.96
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567522
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61479056
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
CID 103112573
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107838991
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
(2S)-3,3-dimethyl-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 61478990

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid (CID 107826833) is (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid is CCCNC(=O)C(C)NC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
The InChIKey is KDEQWXRGJFPVIX-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-5-12-9(16)7(2)13-11(19)14-8(4-6-15)10(17)18/h7-8,15H,3-6H2,1-2H3,(H,12,16)(H,17,18)(H2,13,14,19)/t7?,8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.96, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid is sourced from PubChem (CID 107826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).