(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

C10H17N3O6 — CID 114005417

IUPAC(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC(C)C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-5(8(11)15)12-10(18)13-6(9(16)17)3-4-7(14)19-2/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t5?,6-/m1/s1
InChIKeyTWBHKDDCBMKSKB-PRJDIBJQSA-N
MW275.26 g/mol
LogP-1.43
Rot. Bonds7

About (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 114005417) has the molecular formula C10H17N3O6 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID114005417
Molecular FormulaC10H17N3O6
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC(C)C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O6/c1-5(8(11)15)12-10(18)13-6(9(16)17)3-4-7(14)19-2/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t5?,6-/m1/s1
InChIKeyTWBHKDDCBMKSKB-PRJDIBJQSA-N
XLogP-1.43
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826825
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2R)-5-methoxy-2-(2-methoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114005908
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
(2R)-2-(1-ethylsulfanylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107829145
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 114005417) is (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NC(C)C(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is TWBHKDDCBMKSKB-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H17N3O6/c1-5(8(11)15)12-10(18)13-6(9(16)17)3-4-7(14)19-2/h5-6H,3-4H2,1-2H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 275.26 g/mol, XLogP of -1.43, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114005417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).