(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid

C12H22N4O5 — CID 107831208

IUPAC(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(10(18)14-2)6-16(3)12(21)15-8(11(19)20)4-5-9(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,18)(H,15,21)(H,19,20)/t7?,8-/m1/s1
InChIKeyPCMBWCFVIYMDHX-BRFYHDHCSA-N
MW302.33 g/mol
LogP-1.27
Rot. Bonds8

About (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 107831208) has the molecular formula C12H22N4O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
PubChem CID107831208
Molecular FormulaC12H22N4O5
Molecular Weight302.33 g/mol
Exact Mass302.16
IUPAC Name(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5/c1-7(10(18)14-2)6-16(3)12(21)15-8(11(19)20)4-5-9(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,18)(H,15,21)(H,19,20)/t7?,8-/m1/s1
InChIKeyPCMBWCFVIYMDHX-BRFYHDHCSA-N
XLogP-1.27
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
N,2-dimethylpentanediamide;ethane
CID 145111022
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 81057472
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
(2R)-5-amino-2-[[methyl(pentan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830593
(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830862

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid (CID 107831208) is (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid is CNC(=O)C(C)CN(C)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is PCMBWCFVIYMDHX-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H22N4O5/c1-7(10(18)14-2)6-16(3)12(21)15-8(11(19)20)4-5-9(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,18)(H,15,21)(H,19,20)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 302.33 g/mol, XLogP of -1.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107831208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).