trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid

C8H14N2O4 — CID 10584245

IUPACtrans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
SMILESN[C@H](CC[C@H]1C[C@@]1(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-5(6(11)12)2-1-4-3-8(4,10)7(13)14/h4-5H,1-3,9-10H2,(H,11,12)(H,13,14)/t4-,5+,8-/m0/s1
InChIKeyYBSJYRXSUDUVHA-UUEMRFSQSA-N
MW202.21 g/mol
LogP-1.02
Rot. Bonds5

About trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid (PubChem CID 10584245) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
PubChem CID10584245
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nametrans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
SMILESN[C@H](CC[C@H]1C[C@@]1(N)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-5(6(11)12)2-1-4-3-8(4,10)7(13)14/h4-5H,1-3,9-10H2,(H,11,12)(H,13,14)/t4-,5+,8-/m0/s1
InChIKeyYBSJYRXSUDUVHA-UUEMRFSQSA-N
XLogP-1.02
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 75132599
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
trans-(1S,2R)-1-amino-2-[(diaminomethylideneamino)methyl]cyclopropane-1-carboxylic acid
CID 162853254
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886
cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid
CID 102246407
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
2-amino-4-(1,4-dioxepan-5-yl)butanoic acid
CID 131970321
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
2,4-diaminobutanoic acid
CID 158725018

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid (CID 10584245) is trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid is N[C@H](CC[C@H]1C[C@@]1(N)C(=O)O)C(=O)O.
What is the InChIKey of trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid?
The InChIKey is YBSJYRXSUDUVHA-UUEMRFSQSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-5(6(11)12)2-1-4-3-8(4,10)7(13)14/h4-5H,1-3,9-10H2,(H,11,12)(H,13,14)/t4-,5+,8-/m0/s1.
What are the key properties of trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10584245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).