(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid

C14H27N3O4 — CID 107830741

IUPAC(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCCCCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-4-5-6-9-17(10(2)3)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m1/s1
InChIKeyUIEBDJXDHGAZBL-LLVKDONJSA-N
MW301.39 g/mol
LogP1.32
Rot. Bonds10

About (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid

(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid (PubChem CID 107830741) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
PubChem CID107830741
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid
SMILESCCCCCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-4-5-6-9-17(10(2)3)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m1/s1
InChIKeyUIEBDJXDHGAZBL-LLVKDONJSA-N
XLogP1.32
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
(2R)-5-amino-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830747
2-methyl-4-[[pentyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 80541783
5-amino-2-(2-methyldodecanoylamino)-5-oxopentanoic acid
CID 90241102
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63719398
CID 175770301
CID 175770301
(2S)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]hexanoic acid
CID 107145838
(2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 76956107

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid (CID 107830741) is (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid is CCCCCN(C(=O)N[C@H](CCC(N)=O)C(=O)O)C(C)C.
What is the InChIKey of (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is UIEBDJXDHGAZBL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-5-6-9-17(10(2)3)14(21)16-11(13(19)20)7-8-12(15)18/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid?
(2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-5-oxo-2-[[pentyl(propan-2-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107830741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).