(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

C12H23N3O5 — CID 107567522

IUPAC(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C(=O)NCCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-5-9(11(17)18)15-12(19)14-8(2)10(16)13-6-7-20-3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19)/t8?,9-/m1/s1
InChIKeyJWVFQITWZQTXLC-YGPZHTELSA-N
MW289.33 g/mol
LogP-0.31
Rot. Bonds9

About (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid

(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (PubChem CID 107567522) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
PubChem CID107567522
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)C(=O)NCCOC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-5-9(11(17)18)15-12(19)14-8(2)10(16)13-6-7-20-3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19)/t8?,9-/m1/s1
InChIKeyJWVFQITWZQTXLC-YGPZHTELSA-N
XLogP-0.31
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107567519
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826825
2-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoylamino]pentanoic acid
CID 112588497
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid (CID 107567522) is (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)C(=O)NCCOC)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
The InChIKey is JWVFQITWZQTXLC-YGPZHTELSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-4-5-9(11(17)18)15-12(19)14-8(2)10(16)13-6-7-20-3/h8-9H,4-7H2,1-3H3,(H,13,16)(H,17,18)(H2,14,15,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid?
(2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 107567522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).