(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid

C10H16N2O5 — CID 61160783

IUPAC(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CNC1CC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(5-11-6-1-2-6)12-7(10(16)17)3-4-9(14)15/h6-7,11H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeySPTJLKRHIPLPFA-ZETCQYMHSA-N
MW244.25 g/mol
LogP-0.83
Rot. Bonds8

About (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid

(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid (PubChem CID 61160783) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
PubChem CID61160783
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CNC1CC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(5-11-6-1-2-6)12-7(10(16)17)3-4-9(14)15/h6-7,11H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
InChIKeySPTJLKRHIPLPFA-ZETCQYMHSA-N
XLogP-0.83
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 114005220
(2S)-4-amino-2-[[2-(cyclopropylamino)acetyl]amino]-4-oxobutanoic acid
CID 107824702
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid (CID 61160783) is (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)CNC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid?
The InChIKey is SPTJLKRHIPLPFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-8(5-11-6-1-2-6)12-7(10(16)17)3-4-9(14)15/h6-7,11H,1-5H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid?
(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid has a molecular weight of 244.25 g/mol, XLogP of -0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 61160783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).