(2S)-2-(dibutylcarbamoylamino)pentanedioic acid

C14H26N2O5 — CID 61185545

IUPAC(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
SMILESCCCCN(CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-3-5-9-16(10-6-4-2)14(21)15-11(13(19)20)7-8-12(17)18/h11H,3-10H2,1-2H3,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyLPVMYQFMXGXSJW-NSHDSACASA-N
MW302.37 g/mol
LogP1.92
Rot. Bonds11

About (2S)-2-(dibutylcarbamoylamino)pentanedioic acid

(2S)-2-(dibutylcarbamoylamino)pentanedioic acid (PubChem CID 61185545) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-2-(dibutylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
PubChem CID61185545
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
SMILESCCCCN(CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-3-5-9-16(10-6-4-2)14(21)15-11(13(19)20)7-8-12(17)18/h11H,3-10H2,1-2H3,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyLPVMYQFMXGXSJW-NSHDSACASA-N
XLogP1.92
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
CID 61447464
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibutylcarbamoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(dibutylcarbamoylamino)pentanedioic acid (CID 61185545) is (2S)-2-(dibutylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(dibutylcarbamoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(dibutylcarbamoylamino)pentanedioic acid is CCCCN(CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(dibutylcarbamoylamino)pentanedioic acid?
The InChIKey is LPVMYQFMXGXSJW-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O5/c1-3-5-9-16(10-6-4-2)14(21)15-11(13(19)20)7-8-12(17)18/h11H,3-10H2,1-2H3,(H,15,21)(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(dibutylcarbamoylamino)pentanedioic acid?
(2S)-2-(dibutylcarbamoylamino)pentanedioic acid has a molecular weight of 302.37 g/mol, XLogP of 1.92, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibutylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61185545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).