(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid

C12H20N2O5 — CID 107824278

IUPAC(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-11(16)5-4-9(12(17)18)14-10(15)7-13-6-8-2-3-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyANCMPDOTUDRYFL-VIFPVBQESA-N
MW272.30 g/mol
LogP-0.49
Rot. Bonds9

About (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107824278) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107824278
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)CNCC1CC1)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-19-11(16)5-4-9(12(17)18)14-10(15)7-13-6-8-2-3-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyANCMPDOTUDRYFL-VIFPVBQESA-N
XLogP-0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
CID 81078544
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
(2S)-2-(1-cyclopropylpropan-2-ylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107827918
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
(2R)-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827078
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid (CID 107824278) is (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)CNCC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is ANCMPDOTUDRYFL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-11(16)5-4-9(12(17)18)14-10(15)7-13-6-8-2-3-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).